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3-Oxo-3-phenylpropanoic acid
SpectraBase Compound ID IweXB2BSX7X
InChI InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKey HXUIDZOMTRMIOE-UHFFFAOYSA-N
Mol Weight 164.16 g/mol
Molecular Formula C9H8O3
Exact Mass 164.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JwRJfG5Z2
Name 3-Oxo-3-phenylpropanoic acid
Alternate Name(s) 3-keto-3-phenyl-propionic acid 3-Oxidanylidene-3-phenyl-propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O3
InChI InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKey HXUIDZOMTRMIOE-UHFFFAOYSA-N
Molecular Weight 164.160 g/mol
SMILES OC(CC(c1ccccc1)=O)=O
SPLASH splash10-0adi-4900000000-9051055ec146674a675e
Source of Spectrum KC-57-1080-5
Wiley ID 1622793