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3-hydroxybenzo[b]thiophene-2-carboxylic acid, methyl ester
SpectraBase Compound ID 1XaRmpC1DIO
InChI InChI=1S/C10H8O3S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5,11H,1H3
InChIKey KNSQDHMBDAMMNO-UHFFFAOYSA-N
Mol Weight 208.23 g/mol
Molecular Formula C10H8O3S
Exact Mass 208.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cg8eTIT1qAD
Name Benzo[b]thiophene-2-carboxylic acid, 3-hydroxy-, methyl ester
Alternate Name(s) Methyl 3-hydroxy-1-benzothiophene-2-carboxylate Methyl 3-hydroxybenzo(b)thiophene-3-carboxylate Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate 3-Hydroxy-1-benzothiophene-2-carboxylic acid methyl ester Methyl 3-hydroxybenzothiophene-2-carboxylate Methyl 3-oxidanyl-1-benzothiophene-2-carboxylate EINECS 236-066-4
CAS Registry Number 13134-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O3S
InChI InChI=1S/C10H8O3S/c1-13-10(12)9-8(11)6-4-2-3-5-7(6)14-9/h2-5,11H,1H3
InChIKey KNSQDHMBDAMMNO-UHFFFAOYSA-N
Molecular Weight 208.231 g/mol
SMILES Oc1c(sc2ccccc12)C(=O)OC
SPLASH splash10-05di-3930000000-f3853c88b38cd59ce4c1
Source of Spectrum AD-0-2532-0
Wiley ID 1427271