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1,3-Benzenedicarboxylic acid, 4-methyl-
SpectraBase Compound ID A87gk63xROK
InChI InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey PNWSHHILERSSLF-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 Fvs5bdBUQj5
Name 1,3-Benzenedicarboxylic acid, 4-methyl-
CAS Registry Number 3347-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey PNWSHHILERSSLF-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES OC(c1cc(C(=O)O)ccc1C)=O
SPLASH splash10-03di-4900000000-d379e6c85eeef94e0d15
Source of Spectrum JX-2015-6-9966
Synonyms 4-Methylbenzene-1,3-dicarboxylic acid 4-Methylisophthalic acid Isophthalic acid, 4-methyl-
Wiley ID 1730501