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1,4-Benzenedicarboxylic acid, 2-methyl-
SpectraBase Compound ID Glo7KGJghsJ
InChI InChI=1S/C9H8O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey UFMBOFGKHIXOTA-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 Dje3rdnv38Z
Name 1,4-Benzenedicarboxylic acid, 2-methyl-
Alternate Name(s) 2-Methylterephthalic acid Methylterephthalic acid Terephthalic acid, methyl-
CAS Registry Number 5156-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey UFMBOFGKHIXOTA-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES OC(c1cc(c(C(=O)O)cc1)C)=O
SPLASH splash10-03el-3900000000-37e47278c7d7b5da70bd
Source of Spectrum AD-0-4328-0
Wiley ID 1175903