##TITLE= Compound file, contains several data records
##JCAMP-DX= 5.0
##DATA TYPE= LINK
##BLOCKS=4
##ORIGIN= Department of Chemistry, UWI, JAMAICA
##OWNER= public domain
##TITLE= 1-vinylpyrrolidin-2-one
##JCAMP-DX= 5.01
##DATA TYPE= INFRARED SPECTRUM
##DATA CLASS= XYDATA
##BLOCK ID=1
##ORIGIN= JSpecView Converted
##OWNER= public domain
##LONGDATE= 2005/08/04 19:49:39.0046 -0500 $$ export date from JSpecView
##MOLFORM= C9H9NO
##CAS REGISTRY NO= 88-12-0
##$MODELS=
1-vinylpyrrolidin-2-one
RLDSViewer 3D 0
17 17 0 0 0 0 0 0 0 0999 V2000
-0.3428 -0.2241 0.0127 N 0 0 0 0 0 0 0 0 0 1
1.0603 -0.2241 0.0127 C 0 0 0 0 0 0 0 0 0 2
-0.8840 1.1230 0.0127 C 0 0 0 0 0 0 0 0 0 3
1.5648 1.2125 0.0360 C 0 0 0 0 0 0 0 0 0 4
0.3180 2.0919 0.0295 C 0 0 0 0 0 0 0 0 0 5
1.7609 -1.2444 0.0000 O 0 0 0 0 0 0 0 0 0 6
-1.1332 -1.3668 -0.0322 C 0 0 0 0 0 0 0 0 0 7
-2.4751 -1.3926 -0.0708 C 0 0 0 0 0 0 0 0 0 8
-1.5170 1.2824 -0.9030 H 0 0 0 0 0 0 0 0 0 9
-1.5348 1.2719 0.9172 H 0 0 0 0 0 0 0 0 0 10
2.1836 1.3687 0.9536 H 0 0 0 0 0 0 0 0 0 11
2.2093 1.3894 -0.8598 H 0 0 0 0 0 0 0 0 0 12
0.2948 2.7516 -0.8711 H 0 0 0 0 0 0 0 0 0 13
0.2786 2.7417 0.9366 H 0 0 0 0 0 0 0 0 0 14
-0.5288 -2.2986 -0.0302 H 0 0 0 0 0 0 0 0 0 15
-3.0080 -2.3496 -0.1007 H 0 0 0 0 0 0 0 0 0 16
-3.1062 -0.4974 -0.0738 H 0 0 0 0 0 0 0 0 0 17
1 2 1 0 0 0
1 3 1 0 0 0
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3 10 1 0 0 0
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5 14 1 0 0 0
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7 8 2 0 0 0
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M END
17
1 Energy: -1419.11104 Freq: 3229.18831
N -0.342800 -0.224100 0.012700 0.002700 0.002800 0.000140
C 1.060300 -0.224100 0.012700 -0.001780 0.000440 -0.000020
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C 0.318000 2.091900 0.029500 0.000020 0.000100 -0.000040
O 1.760900 -1.244400 0.000000 0.000420 -0.000400 0.000020
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17
2 Energy: -1419.11104 Freq: 3193.37588
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17
3 Energy: -1419.11104 Freq: 3125.18663
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17
4 Energy: -1419.11104 Freq: 3119.09135
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17
5 Energy: -1419.11104 Freq: 3103.58705
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C 1.060300 -0.224100 0.012700 -0.002540 0.000060 -0.000040
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17
6 Energy: -1419.11104 Freq: 3066.26911
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17
7 Energy: -1419.11104 Freq: 3056.77115
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17
8 Energy: -1419.11104 Freq: 3044.35277
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17
9 Energy: -1419.11104 Freq: 2984.38021
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17
10 Energy: -1419.11104 Freq: 2052.31507
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17
11 Energy: -1419.11104 Freq: 1856.70237
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17
12 Energy: -1419.11104 Freq: 1603.68153
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17
13 Energy: -1419.11104 Freq: 1505.65348
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1142703A067911 $$checkpoint
##END=
##TITLE= 1-vinylpyrrolidin-2-one
##JCAMP-DX= 5.01 $$converted from ppm to Hz
##DATA TYPE= NMR SPECTRUM
##DATA CLASS= XYDATA
##BLOCK ID=2
##ORIGIN= PSLC
##OWNER= public domain
##DATE= 00/07/04
##TIME= 15:26:48
##LONGDATE= 2000/07/04 15:26:48 $$ export date from JSpecView
##SPECTROMETER/DATA SYSTEM= TECMAG APOLLO NTNMR
##$MODELS=
1-vinylpyrrolidin-2-one
RLDSViewer 3D 0
17 17 0 0 0 0 0 0 0 0999 V2000
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1.5648 1.2125 0.0360 C 0 0 0 0 0 0 0 0 0 4
0.3180 2.0919 0.0295 C 0 0 0 0 0 0 0 0 0 5
1.7609 -1.2444 0.0000 O 0 0 0 0 0 0 0 0 0 6
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M END
##$PEAKS=
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##.OBSERVE NUCLEUS= ^1H
##.OBSERVE FREQUENCY= 199.58295
##.SOLVENT NAME= CDCl3
##MOLFORM= C9H9NO
##CAS REGISTRY NO= 88-12-0
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885196c15 $$checkpoint
##END=
##TITLE= 1-vinylpyrrolidin-2-one
##JCAMP-DX= 5.01 $$converted from ppm to Hz
##DATA TYPE= NMR SPECTRUM
##DATA CLASS= XYDATA
##BLOCK ID=3
##ORIGIN= PSLC
##OWNER= public domain
##DATE= 00/07/04
##TIME= 15:26:48
##LONGDATE= 2000/07/04 15:26:48 $$ export date from JSpecView
##SPECTROMETER/DATA SYSTEM= TECMAG APOLLO NTNMR
##$MODELS=
1-vinylpyrrolidin-2-one
RLDSViewer 3D 0
17 17 0 0 0 0 0 0 0 0999 V2000
-0.3428 -0.2241 0.0127 N 0 0 0 0 0 0 0 0 0 1
1.0603 -0.2241 0.0127 C 0 0 0 0 0 0 0 0 0 2
-0.8840 1.1230 0.0127 C 0 0 0 0 0 0 0 0 0 3
1.5648 1.2125 0.0360 C 0 0 0 0 0 0 0 0 0 4
0.3180 2.0919 0.0295 C 0 0 0 0 0 0 0 0 0 5
1.7609 -1.2444 0.0000 O 0 0 0 0 0 0 0 0 0 6
-1.1332 -1.3668 -0.0322 C 0 0 0 0 0 0 0 0 0 7
-2.4751 -1.3926 -0.0708 C 0 0 0 0 0 0 0 0 0 8
-1.5170 1.2824 -0.9030 H 0 0 0 0 0 0 0 0 0 9
-1.5348 1.2719 0.9172 H 0 0 0 0 0 0 0 0 0 10
2.1836 1.3687 0.9536 H 0 0 0 0 0 0 0 0 0 11
2.2093 1.3894 -0.8598 H 0 0 0 0 0 0 0 0 0 12
0.2948 2.7516 -0.8711 H 0 0 0 0 0 0 0 0 0 13
0.2786 2.7417 0.9366 H 0 0 0 0 0 0 0 0 0 14
-0.5288 -2.2986 -0.0302 H 0 0 0 0 0 0 0 0 0 15
-3.0080 -2.3496 -0.1007 H 0 0 0 0 0 0 0 0 0 16
-3.1062 -0.4974 -0.0738 H 0 0 0 0 0 0 0 0 0 17
1 2 1 0 0 0
1 3 1 0 0 0
1 7 1 0 0 0
2 4 1 0 0 0
2 6 2 0 0 0
3 10 1 0 0 0
3 5 1 0 0 0
3 9 1 0 0 0
4 11 1 0 0 0
4 5 1 0 0 0
4 12 1 0 0 0
5 14 1 0 0 0
5 13 1 0 0 0
7 8 2 0 0 0
7 15 1 0 0 0
8 17 1 0 0 0
8 16 1 0 0 0
M END
##$PEAKS=
##INSTRUMENTAL PARAMETERS= ^13C
##.SOLVENT NAME= CDCl3
##.OBSERVE NUCLEUS= ^13C
##.OBSERVE FREQUENCY= 50.189967
##MOLFORM= C9H9NO
##CAS REGISTRY NO= 88-12-0
##XUNITS= HZ
##YUNITS= ARBITRARY UNITS
##XFACTOR= 1.07855763E-2
##YFACTOR= 4.89176571E-2
##FIRSTX= -660.40536896
##FIRSTY= 259.88549827
##LASTX= 10125.17089844
##NPOINTS= 13785
##XYDATA= (X++(Y..Y))
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938770e749 $$checkpoint
##END=
##TITLE=1-vinylpyrrolidin-2-one
##JCAMP-DX=4.24
##DATA TYPE=MASS SPECTRUM
##BLOCK ID=4
##ORIGIN=Japan AIST/NIMC Database- Spectrum MS-NW-1029
##OWNER=public domain
##$MODELS=
1-vinylpyrrolidin-2-one
RLDSViewer 3D 0
17 17 0 0 0 0 0 0 0 0999 V2000
-0.3428 -0.2241 0.0127 N 0 0 0 0 0 0 0 0 0 1
1.0603 -0.2241 0.0127 C 0 0 0 0 0 0 0 0 0 2
-0.8840 1.1230 0.0127 C 0 0 0 0 0 0 0 0 0 3
1.5648 1.2125 0.0360 C 0 0 0 0 0 0 0 0 0 4
0.3180 2.0919 0.0295 C 0 0 0 0 0 0 0 0 0 5
1.7609 -1.2444 0.0000 O 0 0 0 0 0 0 0 0 0 6
-1.1332 -1.3668 -0.0322 C 0 0 0 0 0 0 0 0 0 7
-2.4751 -1.3926 -0.0708 C 0 0 0 0 0 0 0 0 0 8
-1.5170 1.2824 -0.9030 H 0 0 0 0 0 0 0 0 0 9
-1.5348 1.2719 0.9172 H 0 0 0 0 0 0 0 0 0 10
2.1836 1.3687 0.9536 H 0 0 0 0 0 0 0 0 0 11
2.2093 1.3894 -0.8598 H 0 0 0 0 0 0 0 0 0 12
0.2948 2.7516 -0.8711 H 0 0 0 0 0 0 0 0 0 13
0.2786 2.7417 0.9366 H 0 0 0 0 0 0 0 0 0 14
-0.5288 -2.2986 -0.0302 H 0 0 0 0 0 0 0 0 0 15
-3.0080 -2.3496 -0.1007 H 0 0 0 0 0 0 0 0 0 16
-3.1062 -0.4974 -0.0738 H 0 0 0 0 0 0 0 0 0 17
1 2 1 0 0 0
1 3 1 0 0 0
1 7 1 0 0 0
2 4 1 0 0 0
2 6 2 0 0 0
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4 5 1 0 0 0
4 12 1 0 0 0
5 14 1 0 0 0
5 13 1 0 0 0
7 8 2 0 0 0
7 15 1 0 0 0
8 17 1 0 0 0
8 16 1 0 0 0
M END
1-vinylpyrrolidin-2-one
RLDSViewer 3D 0
17 17 0 0 0 0 0 0 0 0999 V2000
-0.3428 -0.2241 0.0127 N 0 0 0 0 0 0 0 0 0 1
1.0603 -0.2241 0.0127 C 0 0 0 0 0 0 0 0 0 2
-0.8840 1.1230 0.0127 C 0 0 0 0 0 0 0 0 0 3
1.5648 1.2125 0.0360 C 0 0 0 0 0 0 0 0 0 4
0.3180 2.0919 0.0295 C 0 0 0 0 0 0 0 0 0 5
1.7609 -1.2444 0.0000 O 0 0 0 0 0 0 0 0 0 6
-1.1332 -1.3668 -0.0322 C 0 0 0 0 0 0 0 0 0 7
-2.4751 -1.3926 -0.0708 C 0 0 0 0 0 0 0 0 0 8
-1.5170 1.2824 -0.9030 H 0 0 0 0 0 0 0 0 0 9
-1.5348 1.2719 0.9172 H 0 0 0 0 0 0 0 0 0 10
2.1836 1.3687 0.9536 H 0 0 0 0 0 0 0 0 0 11
2.2093 1.3894 -0.8598 H 0 0 0 0 0 0 0 0 0 12
0.2948 2.7516 -0.8711 H 0 0 0 0 0 0 0 0 0 13
0.2786 2.7417 0.9366 H 0 0 0 0 0 0 0 0 0 14
-0.5288 -2.2986 -0.0302 H 0 0 0 0 0 0 0 0 0 15
-3.0080 -2.3496 -0.1007 H 0 0 0 0 0 0 0 0 0 16
-3.1062 -0.4974 -0.0738 H 0 0 0 0 0 0 0 0 0 17
1 2 1 0 0 0
1 3 1 0 0 0
1 7 1 0 0 0
2 4 1 0 0 0
2 6 2 0 0 0
3 10 1 0 0 0
3 5 1 0 0 0
3 9 1 0 0 0
4 11 1 0 0 0
4 5 1 0 0 0
4 12 1 0 0 0
5 14 1 0 0 0
5 13 1 0 0 0
7 8 2 0 0 0
7 15 1 0 0 0
8 17 1 0 0 0
8 16 1 0 0 0
M END
$$$$
vinylp56
created with ArgusLab version 4.0.1
8 7 0 0 0 0 0 0 0 0 0 V2000
1.0603 -0.2241 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5648 1.2125 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3180 2.0919 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7609 -1.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1836 1.3687 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2093 1.3894 -0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2948 2.7516 -0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2786 2.7417 0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 4 2 0 0 0 0
2 5 1 0 0 0 0
2 3 1 0 0 0 0
2 6 1 0 0 0 0
3 8 1 0 0 0 0
3 7 1 0 0 0 0
M END
##$PEAKS=
##CAS REGISTRY NO=88-12-0
##MOLFORM=C6 H9 N O
##MW=111
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##XFACTOR=1
##YFACTOR=1
##FIRSTX=14
##LASTX=113
##FIRSTY=60
##MAXX=113
##MINX=14
##MAXY=9999
##MINY=10
##NPOINTS=43
##PEAK TABLE=(XY..XY)
14,60 15,149 17,30 18,119
25,20 26,279 27,1089 28,2409
29,209 30,219 37,40 38,90
39,629 40,259 41,1129 42,579
43,70 44,50 50,10 51,30
52,109 53,60 54,1019 55,709
56,9999 57,369 58,10 64,10
65,20 66,20 67,99 68,729
69,129 70,20 80,70 81,20
82,759 83,619 84,50 110,199
111,4959 112,359 113,20
##END=
##END=