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3-Methyl-3-(3-methylphenyl)pentanedioic acid
SpectraBase Compound ID JMekpoi0z1x
InChI InChI=1S/C13H16O4/c1-9-4-3-5-10(6-9)13(2,7-11(14)15)8-12(16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKey IQLAQBNLOVVWEC-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eJUPaUbNY4
Name 3-Methyl-3-(3-methylphenyl)pentanedioic acid
CAS Registry Number 96184-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-9-4-3-5-10(6-9)13(2,7-11(14)15)8-12(16)17/h3-6H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKey IQLAQBNLOVVWEC-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(CC(CC(=O)O)(c1cc(C)ccc1)C)=O
SPLASH splash10-067i-2930000000-94cca78bbed99dc7f068
Source of Spectrum K-118-832-23
Synonyms 3-Methyl-3-(m-tolyl)pentanedioic acid
Wiley ID 1238079