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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 LkcLbVYlyHe
Name 1,4-Benzenedicarboxylic acid, methyl ester
Alternate Name(s) 4-(Methoxycarbonyl)benzoic acid 4-Methoxycarbonylbenzoic acid 4-carbomethoxybenzoic acid Methyl hydrogen terephthalate Methyl terephthalate
CAS Registry Number 39379-10-7
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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 splash10-0ftb-9600000000-e8e665083edd8fcd6a01
Source of Spectrum JX-2012-817
Wiley ID 1661263