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Benzoic acid, 2-(1-oxopropyl)-
SpectraBase Compound ID L1yT8FT73k3
InChI InChI=1S/C10H10O3/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3,(H,12,13)
InChIKey JYBOOAWVGOYQFU-UHFFFAOYSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUlcOMAPRw
Name Benzoic acid, 2-(1-oxopropyl)-
Alternate Name(s) 2-Propionylbenzoic acid Propiophenone-2-carboxylic acid 2-(1-oxopropyl)benzoic acid
CAS Registry Number 2360-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O3
InChI InChI=1S/C10H10O3/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3,(H,12,13)
InChIKey JYBOOAWVGOYQFU-UHFFFAOYSA-N
Molecular Weight 178.187 g/mol
SMILES OC(c1ccccc1C(CC)=O)=O
SPLASH splash10-0002-8900000000-753ab15bebf9a78d29a3
Source of Spectrum NP-2-8668-0
Wiley ID 1101820