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2-Methyl-3-phenylsuccinic acid
SpectraBase Compound ID JjoUM2m5kyP
InChI InChI=1S/C11H12O4/c1-7(10(12)13)9(11(14)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13)(H,14,15)
InChIKey MLAWEKSPGNGPNZ-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C11H12O4
Exact Mass 208.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3t5e0SQ91Hp
Name 2-Methyl-3-phenylsuccinic acid
Alternate Name(s) 2-Methyl-3-phenylbutanedioic acid 2-Methyl-3-phenyl-butanedioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O4
InChI InChI=1S/C11H12O4/c1-7(10(12)13)9(11(14)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13)(H,14,15)
InChIKey MLAWEKSPGNGPNZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201100372
Molecular Weight 208.213 g/mol
SMILES OC(C(C(C(=O)O)c1ccccc1)C)=O
SPLASH splash10-014i-0900000000-1bdf166cf0228902097b
Source of Spectrum ASC-353-3380/SM5-7_minor
Wiley ID 1762493