| SpectraBase Spectrum ID |
5O9XpoxFdUx |
| Name |
Methylcyclohexane |
| CAS Registry Number |
108-87-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
98.109550451 u |
| Formula |
C7H14 |
| InChI |
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
| InChIKey |
UAEPNZWRGJTJPN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
98.189 g/mol |
| Nominal Mass |
98 u |
| Quality |
989 |
| Retention Index |
713 |
| SMILES |
C1(CCCCC1)C |
| SPLASH |
splash10-053u-9000000000-26bc5491907198507252 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007387 |
