Product NameMETHYLENECYCLOHEXANE
CAS1192-37-6
Molecular FormulaC7H12
Molecular Weight96.17
InChIInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
InChIKey YULMNMJFAZWLLN-UHFFFAOYSA-N
SmilesC1(=C)CCCCC1
Mass
MS-NW-3425 methylenecyclohexane C7H12 (Mass of molecular ion: 96)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.3 26.0 2.2 27.0 17.4 28.0 3.0 29.0 8.0 37.0 1.2 38.0 3.1 39.0 35.0 40.0 9.4 41.0 23.6 42.0 4.5 50.0 3.0 51.0 5.6 52.0 3.2 53.0 21.5 54.0 47.0 55.0 41.1 56.0 3.1 62.0 1.0 63.0 1.9 65.0 4.9 66.0 6.7 67.0 74.4 68.0 53.0 69.0 3.2 77.0 4.8 78.0 1.2 79.0 10.3 80.0 1.9 81.0 100.0 82.0 6.6 83.0 1.3 91.0 1.7 93.0 1.1 95.0 8.5 96.0 46.3 97.0 3.7
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C7 H12 | 0.04 ml : 0.5 ml CDCl3 |
methylenecyclohexane |
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Assign. Shift(ppm) |
Hz ppm Int.
410.63 4.585 534 409.75 4.576 767 408.81 4.565 556 407.94 4.555 186 195.13 2.179 160 190.13 2.123 327 186.06 2.078 225 185.38 2.070 225 148.56 1.659 35 148.25 1.656 36 143.69 1.605 147 141.13 1.576 286 137.44 1.535 1000 135.69 1.516 523 133.75 1.494 302 133.31 1.489 295 126.50 1.413 33 123.31 1.377 30
in CDCl3
liquid film
METHYLENECYCLOHEXANE(1192-37-6) MS Atlas of Related Products