| SpectraBase Spectrum ID |
5YOkhTaKC8W |
| Name |
3-Methylhexane |
| CAS Registry Number |
589-34-4 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
100.125200515 u |
| Formula |
C7H16 |
| InChI |
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 |
| InChIKey |
VLJXXKKOSFGPHI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
100.205 g/mol |
| Nominal Mass |
100 u |
| Quality |
999 |
| Retention Index |
684 |
| SMILES |
C(CCC)(CC)C |
| SPLASH |
splash10-0596-9000000000-3ce7dc896d2338d53df7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methylhexane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007411 |
