| SpectraBase Spectrum ID |
8G7VTCgw5aa |
| Name |
6-Phenyl-3-hexen-2-one |
| CAS Registry Number |
33046-41-2 |
| Classification |
Drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
174.104465070 u |
| Formula |
C12H14O |
| InChI |
InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,7-9H,6,10H2,1H3/b7-5+ |
| InChIKey |
PHEPHOADHFLZJS-FNORWQNLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
174.243 g/mol |
| Nominal Mass |
174 u |
| Quality |
991 |
| Retention Index |
1270 |
| SMILES |
C1(CC\C=C\C(=O)C)=CC=CC=C1 |
| SPLASH |
splash10-0006-9200000000-6a593d45d468242ca248 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-phenylhex-3-en-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006947 |
