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Phenylmalonic acid
SpectraBase Compound ID BVczXuri00p
InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
InChIKey WWYDYZMNFQIYPT-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTGv4aMAUvJ
Name Propanedioic acid, phenyl-
CAS Registry Number 2613-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
InChIKey WWYDYZMNFQIYPT-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES OC(C(C(=O)O)c1ccccc1)=O
SPLASH splash10-0006-9100000000-cf2775095504923f570c
Source of Spectrum W5-0-0-0
Synonyms .alpha.-Carboxyphenylacetic acid 2-Phenylmalonic acid 2-Phenylpropanedioic acid Malonic acid, phenyl- Phenylmalonic acid Toluene-.alpha.,.alpha.-dicarboxylic acid EINECS 220-044-6 NSC 27164 NSC 41697
Wiley ID 1175929