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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 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