SpectraBase Spectrum ID |
B2GLijBpswa |
Name |
1-Phenyl-1,2-propanedione |
CAS Registry Number |
579-07-7 |
Classification |
Flavor |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
148.052429496 u |
Formula |
C9H8O2 |
InChI |
InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3 |
InChIKey |
BVQVLAIMHVDZEL-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
148.161 g/mol |
Nominal Mass |
148 u |
Quality |
981 |
Retention Index |
1079 |
SMILES |
C1(C(C(=O)C)=O)=CC=CC=C1 |
SPLASH |
splash10-0a6r-9800000000-409b76180d7bc11cdb8f |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Acetylbenzoyl
1,2-Propanedione,1-phenyl- |
Technique |
GC/MS |
Wiley ID |
DD2024_027664 |