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Methyl hydrogen isophthalate
SpectraBase Compound ID 545HvEp3Kr5
InChI InChI=1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey WMZNGTSLFSJHMZ-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 DVb8E3XlXat
Name 1,3-Benzenedicarboxylic acid, monomethyl ester
CAS Registry Number 1877-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES OC(c1cccc(c1)C(=O)OC)=O
SPLASH splash10-0g1i-8900000000-00f8da74a3edb2dc7465
Source of Spectrum SD-1981-0-0
Synonyms 3-(Methoxycarbonyl)benzoic acid 3-Methoxycarbonylbenzoic acid 3-carbomethoxybenzoic acid Isophthalic acid, monomethyl ester Methyl hydrogen isophthalate Monomethyl isophthalate
Wiley ID 1175907