| SpectraBase Spectrum ID |
2oZJYmKFrQO |
| Name |
4-Phenyl-3-buten-2-one |
| CAS Registry Number |
122-57-6 |
| 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 |
146.073164941 u |
| Formula |
C10H10O |
| InChI |
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ |
| InChIKey |
BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
146.189 g/mol |
| Nominal Mass |
146 u |
| Quality |
988 |
| Retention Index |
1070 |
| SMILES |
C1(\C=C\C(=O)C)=CC=CC=C1 |
| SPLASH |
splash10-0udj-5900000000-3c69b8d20a59f2223562 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trans-4-phenyl-3-buten-2-one
4-phenylbut-3-en-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005235 |
