| SpectraBase Spectrum ID |
GEPpiKGAqPP |
| Name |
3-Hexanone,2-methyl |
| CAS Registry Number |
7379-12-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
114.104465070 u |
| Formula |
C7H14O |
| InChI |
InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey |
HIGGFWFRAWSMBR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
114.188 g/mol |
| Nominal Mass |
114 u |
| Quality |
978 |
| Retention Index |
781 |
| SMILES |
C(C(C)C)(CCC)=O |
| SPLASH |
splash10-006x-9000000000-881e9915f8aa531a09b8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Methylhexan-3-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024790 |
