| SpectraBase Spectrum ID |
8GpjzeHp0aG |
| Name |
1,3-Dimethyl-cis-cyclohexane |
| CAS Registry Number |
638-04-0 |
| 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 |
112.125200515 u |
| Formula |
C8H16 |
| InChI |
InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3/t7-,8+ |
| InChIKey |
SGVUHPSBDNVHKL-OCAPTIKFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
112.216 g/mol |
| Nominal Mass |
112 u |
| Quality |
997 |
| Retention Index |
813 |
| SMILES |
C1[C@@](CCC[C@@]1(C)[H])(C)[H] |
| SPLASH |
splash10-0a4j-9000000000-95f91fd5ee50f0a44700 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1R,3S)-1,3-dimethylcyclohexane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007630 |
