4-acetyl-1-methyl-1-cyclohexene(6090-09-1) MS
Product Name4-acetyl-1-methyl-1-cyclohexene
CAS6090-09-1
Molecular FormulaC9H14O
Molecular Weight138.21
InChIInChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3
InChIKey HOBBEYSRFFJETF-UHFFFAOYSA-N
SmilesC(=O)(C1CCC(C)=CC1)C
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MassMS-IW-1774 4-acetyl-1-methylcyclohexene C9H14O (Mass of molecular ion: 138)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.5 27.0 9.6 28.0 1.0 29.0 4.9 38.0 1.1 39.0 15.2 40.0 3.0 41.0 17.2 42.0 1.7 43.0 79.3 44.0 2.1 45.0 5.4 50.0 1.7 51.0 5.2 52.0 2.3 53.0 12.9 54.0 1.9 55.0 25.8 56.0 1.2 63.0 1.7 65.0 5.7 66.0 1.7 67.0 44.6 68.0 12.0 69.0 2.4 71.0 3.2 77.0 15.1 78.0 3.1 79.0 25.2 80.0 14.4 81.0 11.6 82.0 2.1 83.0 1.7 91.0 10.2 92.0 3.0 93.0 21.1 94.0 15.4 95.0 100.0 96.0 9.2 97.0 1.5 105.0 13.4 106.0 1.3 107.0 1.1 109.0 7.1 110.0 1.7 120.0 2.4 121.0 1.5 123.0 42.8 124.0 4.0 137.0 1.6 138.0 70.6 139.0 7.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H14 O 0.05 ml : 0.5 ml CDCl3 4-acetyl-1-methylcyclohexene 
Assign. Shift(ppm)
A 5.388 B 2.532 C 2.174 D 2.15 E 2.12 F 1.95 G 1.649 J 1.60
Hz ppm Int.2156.74 5.397 68 2155.40 5.394 80 2153.93 5.390 83 2152.34 5.386 76 2150.88 5.382 62 1015.26 2.541 41 1009.28 2.526 44 869.14 2.175 1000 865.72 2.167 88 863.28 2.161 95 862.30 2.158 119 860.23 2.153 119 858.15 2.148 101 853.76 2.137 63 851.44 2.131 61 848.51 2.124 47 797.85 1.997 110 797.12 1.995 108 795.90 1.992 116 794.56 1.989 105 793.21 1.985 92 791.87 1.982 77 782.96 1.960 65 781.98 1.957 69 780.15 1.953 54 778.93 1.950 50 777.22 1.945 51 776.00 1.942 47 659.67 1.651 352 658.94 1.649 343 653.20 1.635 48 648.32 1.623 58 642.70 1.609 52 641.48 1.606 49 637.94 1.597 47 636.96 1.594 48 631.96 1.582 50 626.59 1.568 46
in CDCl3
liquid film
