1-METHYL-1-CYCLOHEXENE(591-49-1)IR
Product Name1-METHYL-1-CYCLOHEXENE
CAS591-49-1
Molecular FormulaC7H12
Molecular Weight96.17
InChIInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKey CTMHWPIWNRWQEG-UHFFFAOYSA-N
SmilesC1(C)CCCCC=1
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MassMS-NW-9258 1-methyl-1-cyclohexene C7H12 (Mass of molecular ion: 96)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 6.4 28.0 1.1 29.0 4.0 39.0 12.5 40.0 3.6 41.0 10.7 42.0 1.9 50.0 1.3 51.0 3.3 52.0 1.8 53.0 12.6 54.0 15.7 55.0 28.4 56.0 1.8 63.0 1.1 65.0 3.7 66.0 2.9 67.0 41.6 68.0 36.0 69.0 2.4 77.0 5.3 78.0 1.1 79.0 11.4 80.0 1.8 81.0 100.0 82.0 6.9 91.0 2.4 93.0 1.3 95.0 8.1 96.0 41.4 97.0 4.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H12 0.05 ml : 0.5 ml CDCl3 1-methyl-1-cyclohexene 
Assign. Shift(ppm)
A 5.379 B 1.96 C 1.89 D 1.627 E 1.61 F 1.54
Hz ppm Int.2156.74 5.397 52 2155.27 5.393 97 2153.20 5.388 147 2151.61 5.384 213 2150.02 5.380 227 2148.19 5.376 182 2146.36 5.371 142 2144.78 5.367 84 794.07 1.987 49 791.87 1.982 86 789.79 1.977 124 787.96 1.972 170 785.89 1.967 224 783.81 1.962 255 781.98 1.957 272 779.79 1.952 268 777.71 1.946 233 775.76 1.942 183 773.80 1.937 139 771.85 1.932 91 757.93 1.897 267 656.86 1.644 139 654.54 1.638 247 653.69 1.636 439 651.73 1.631 848 651.25 1.630 863 650.27 1.628 1000 649.78 1.626 859 649.29 1.625 885 648.32 1.623 776 647.46 1.621 647 645.75 1.616 460 641.72 1.606 273 639.65 1.601 292 638.43 1.598 258 636.84 1.594 193 635.62 1.591 172 633.30 1.585 165 632.32 1.583 142 626.22 1.567 103 624.51 1.563 135 622.68 1.559 144 621.70 1.556 135 618.90 1.549 259 616.70 1.544 290 612.67 1.534 282 610.60 1.528 263 607.91 1.522 199 607.30 1.520 188 604.74 1.514 123 601.93 1.507 84 600.95 1.504 73
in CDCl3
