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Phenylacetone
SpectraBase Compound ID BKybUuv7NRd
InChI InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey QCCDLTOVEPVEJK-UHFFFAOYSA-N
Mol Weight 134.18 g/mol
Molecular Formula C9H10O
Exact Mass 134.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGvo21ABfRg
Name 1-Phenyl-2-propanone
CAS Registry Number 103-79-7
Classification Drug precursor
Comments Spectrum verified by crosschecking against external libraries (one 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.
DEA Citation 21 CFR §1308.12 (g) (1) (i)
DEA Controlled Substance Name Phenylacetone
DEA Controlled Substances Code Number 8501
DEA Schedule Schedule II
DEA Section Immediate precursors. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation which contains any quantity of the following substances
Exact Mass 134.073164941 u
Formula C9H10O
InChI InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey QCCDLTOVEPVEJK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 134.178 g/mol
Nominal Mass 134 u
Quality 996
Retention Index 1104
SMILES C=1(C=CC=CC1)CC(=O)C
SPLASH splash10-0006-9000000000-57e6a3bf0109c617855e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzylmethylketone P2P 1-Phenylpropan-2-one
Technique GC/MS
Wiley ID DD2024_019121