| SpectraBase Spectrum ID |
JG131QJcz6O |
| Name |
1,3,5-Trimethylcyclohexane |
| CAS Registry Number |
1795-27-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
126.140850580 u |
| Formula |
C9H18 |
| InChI |
InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3 |
| InChIKey |
ODNRTOSCFYDTKF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
126.243 g/mol |
| Nominal Mass |
126 u |
| Quality |
999 |
| Retention Index |
914 |
| SMILES |
C1(CC(CC(C1)C)C)C |
| SPLASH |
splash10-0903-9300000000-01c5d260676f79e8f3a1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3,5-trimethylcyclohexane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034773 |
