1-ACETYL-1-CYCLOHEXENE(932-66-1) MS
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
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MassMS-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
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1H NMR 399.65 MHz C8 H12 O 0.05 ml : 0.5 ml CDCl3 1-acetylcyclohexene 
Assign. Shift(ppm)
A 6.918 B 2.278 C *1 2.26 D *1 2.22 E 1.66 to 1.58
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
