Product Name1-ACETYL-1-CYCLOHEXENE
CAS932-66-1
Molecular FormulaC8H12O
Molecular Weight124.18
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h5H,2-4,6H2,1H3
InChIKey LTYLUDGDHUEBGX-UHFFFAOYSA-N
SmilesC(=O)(C1CCCCC=1)C

Mass
MS-NW-9942 1-acetylcyclohexene C8H12O (Mass of molecular ion: 124)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.2
27.0 7.7
28.0 1.0
29.0 1.8
38.0 1.0
39.0 10.3
40.0 1.4
41.0 13.1
42.0 1.3
43.0 60.8
44.0 1.5
50.0 2.6
51.0 5.7
52.0 3.4
53.0 19.1
54.0 3.0
55.0 4.4
63.0 1.1
65.0 4.0
66.0 3.4
67.0 4.1
77.0 7.8
78.0 2.1
79.0 32.7
80.0 8.5
81.0 100.0
82.0 7.1
91.0 2.2
95.0 2.0
96.0 1.0
109.0 74.5
110.0 6.0
123.0 1.3
124.0 59.2
125.0 5.8
400 MHz in CDCl3

| 1H NMR | 399.65 MHz |
| C8 H12 O | 0.05 ml : 0.5 ml CDCl3 |
| 1-acetylcyclohexene | |
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Assign. Shift(ppm) |
Hz ppm Int.
2770.39 6.933 33
2768.92 6.929 68
2766.60 6.923 82
2764.89 6.919 128
2763.18 6.915 83
2760.86 6.909 68
2759.28 6.905 40
914.43 2.289 92
910.52 2.279 1000
906.37 2.268 124
903.93 2.262 126
902.34 2.258 131
899.90 2.252 119
897.58 2.246 76
895.87 2.242 70
893.07 2.235 74
891.36 2.231 90
890.01 2.227 92
889.16 2.225 112
887.57 2.221 118
886.72 2.219 126
885.13 2.215 131
883.54 2.211 94
881.35 2.206 75
880.62 2.204 73
879.64 2.202 65
878.78 2.199 65
876.95 2.195 40
664.55 1.663 37
662.11 1.657 46
661.01 1.654 39
658.33 1.648 61
656.13 1.642 97
654.91 1.639 95
653.44 1.636 91
652.34 1.633 114
650.39 1.628 223
648.56 1.623 172
647.34 1.620 220
646.24 1.618 169
645.51 1.616 153
644.29 1.613 222
641.11 1.605 83
639.89 1.602 78
638.55 1.598 85
636.47 1.593 58
633.67 1.586 32
632.69 1.584 37
in CDCl3

liquid film


1-ACETYL-1-CYCLOHEXENE(932-66-1) 1H NMR Atlas of Related Products