4-Phenyl-3-buten-2-one
1334
Reference
4-Phenyl-3-buten-2-one Structure
Systematic / IUPAC Name: (3E)-4-Phenyl-3-buten-2-one
ID: Reference1334
Other Names:
Benzylideneacetone;
Methyl styryl ketone;
3-Buten-2-one, 4-phenyl-;
2-Phenylvinyl methyl ketone;
(E)-4-Phenylbut-3-en-2-one
; more
Formula: C10H10O
Spectral Data
4-Phenyl-3-buten-2-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 71 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/4/2014 9:30:45 AM |
Identificators
| InChI | InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+ |
| InChI Key | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| Canonical SMILES | |
| CAS | 122576 |
| Splash | |
| Other Names |
Benzylideneacetone; Methyl styryl ketone; 3-Buten-2-one, 4-phenyl-; 2-Phenylvinyl methyl ketone; (E)-4-Phenylbut-3-en-2-one; 4-Phenylbut-3-en-2-one; 3-Buten-2-one, 4-phenyl-, (E)-; 4-Phenyl-3-butene-2-one; trans-4-Phenylbut-3-en-2-one; (E)-Benzylideneacetone; Benzalacetone |
In Other Databases
| ChEMBL | CHEMBL73639 |
| ChemSpider | 21106584 |
| Wikipedia | Benzylideneacetone |
| PubChem | 637759 |
| HMDb | HMDB31617 |
| ChEBI | CHEBI:217301; CHEBI:78399 |