Product NameCYCLOHEPTANE
CAS291-64-5
Molecular FormulaC7H14
Molecular Weight98.19
InChIInChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2
InChIKey DMEGYFMYUHOHGS-UHFFFAOYSA-N
SmilesC1CCCCCC1
Mass
MS-NW-3926 cycloheptane C7H14 (Mass of molecular ion: 98)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.7 26.0 2.4 27.0 23.2 28.0 4.8 29.0 23.9 38.0 2.2 39.0 30.9 40.0 6.2 41.0 77.6 42.0 75.4 43.0 14.1 50.0 1.6 51.0 2.9 52.0 1.3 53.0 8.5 54.0 18.4 55.0 96.8 56.0 100.0 57.0 17.9 63.0 1.0 65.0 2.0 66.0 1.7 67.0 13.2 68.0 27.2 69.0 61.7 70.0 85.7 71.0 5.1 77.0 1.1 79.0 1.5 81.0 7.5 82.0 4.6 83.0 48.6 84.0 3.7 91.0 2.0 92.0 1.4 95.0 1.1 96.0 3.4 97.0 1.7 98.0 62.9 99.0 5.0
parameter in CDCl3
1H NMR | 300 MHz |
C7 H14 | 0.04 ml : 0.5 ml CDCl3 |
cycloheptane |
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Parameter ppm Hz |
Hz ppm Int.
456.90 1.523 1000
in CDCl3
liquid film
CYCLOHEPTANE(291-64-5) MS Atlas of Related Products