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terephthalic acid, monomethyl ester
SpectraBase Compound ID 5McRaMKF1ma
InChI InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey REIDAMBAPLIATC-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 5VzHE9jO9LF
Name 1,4-Benzenedicarboxylic acid, methyl ester
CAS Registry Number 39379-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey REIDAMBAPLIATC-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES OC(c1ccc(C(OC)=O)cc1)=O
SPLASH splash10-014j-7900000000-a9c6843b5baff860773c
Source of Spectrum K1-2000-2109-4
Synonyms 4-(Methoxycarbonyl)benzoic acid 4-Methoxycarbonylbenzoic acid 4-carbomethoxybenzoic acid Methyl hydrogen terephthalate Methyl terephthalate
Wiley ID 750403