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1,3-Benzenedicarboxylic acid, 2-methyl-
SpectraBase Compound ID C5ifzyAe7Dj
InChI InChI=1S/C9H8O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey AIDLAEPHWROGFI-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 JnYbXOzmAfu
Name 1,3-Benzenedicarboxylic acid, 2-methyl-
CAS Registry Number 15120-47-5
Comments Removed - unrepairable contamination (DOP)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey AIDLAEPHWROGFI-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES OC(c1c(c(C(=O)O)ccc1)C)=O
SPLASH splash10-0002-0900000000-d3433d4813f90ba87dbb
Source of Spectrum B-43-1787-15
Synonyms 2-methylisophthalic acid 2-methylbenzene-1,3-dicarboxylic acid
Wiley ID 1175943