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1-Phenyl-1,2-propanedione

View entire compound with spectra: 10 NMR, 9 FTIR, 2 Raman, 1 UV-Vis, and 19 MS (GC)

1-Phenyl-1,2-propanedione
SpectraBase Compound ID AWCWufbcLPm
InChI InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey BVQVLAIMHVDZEL-UHFFFAOYSA-N
Mol Weight 148.16 g/mol
Molecular Formula C9H8O2
Exact Mass 148.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Efn4yP6hEfP
Name 1,2-Propanedione, 1-phenyl-
Alternate Name(s) 1-Phenyl-1,2-propandione 1-Phenyl-1,2-propanedione 1-Phenyl-propane-1,2-dione 3-Phenyl-2,3-propanedione Acetylbenzoyl Benzoyl methyl ketone Benzoylacetyl Methyl phenyl diketone Methylphenylglyoxal Phenylmethyldiketone Pyruvophenone AI3-23868 CCRIS 6297 EINECS 209-435-2 FEMA NO. 3226 NSC 7643
CAS Registry Number 579-07-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 148.161 g/mol
SMILES CC(C(=O)c1ccccc1)=O
SPLASH splash10-0a6r-8900000000-c2a402a45526c1251351
Source of Spectrum J-52-5024-8
Wiley ID 1145476