| SpectraBase Spectrum ID |
2cci3WVtVDT |
| Name |
1-Phenyl-1,2-propanedione |
| CAS Registry Number |
579-07-7 |
| Classification |
Flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
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 |
978 |
| Retention Index |
1079 |
| SMILES |
C1(C(C(=O)C)=O)=CC=CC=C1 |
| SPLASH |
splash10-0a6r-9800000000-56a9848878af0cfb82bf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetylbenzoyl
1,2-Propanedione,1-phenyl- |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028032 |
