| SpectraBase Spectrum ID |
Img4oVhrW57 |
| Name |
6-Phenyl-3,5-hexadien-2-one |
| CAS Registry Number |
4173-44-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
172.088815005 u |
| Formula |
C12H12O |
| InChI |
InChI=1S/C12H12O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-10H,1H3/b7-5+,10-6- |
| InChIKey |
PRNUCJKOERXADE-ZUVZAJTGSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
172.227 g/mol |
| Nominal Mass |
172 u |
| Quality |
912 |
| Retention Index |
1258 |
| SMILES |
C=1(\C=C/C=C/C(=O)C)C=CC=CC1 |
| SPLASH |
splash10-004i-2900000000-7b80de24de5bcb8e9db7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3E,5Z)-6-phenylhexa-3,5-dien-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025410 |
