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3-hydroxybenzo[b]thiophene-2-carboxylic acid, methyl ester, o-chlorobenzoate

View entire compound with spectra: 2 NMR, and 1 FTIR

3-hydroxybenzo[b]thiophene-2-carboxylic acid, methyl ester, o-chlorobenzoate
SpectraBase Compound ID AISXePp2CVr
InChI InChI=1S/C17H11ClO4S/c1-21-17(20)15-14(11-7-3-5-9-13(11)23-15)22-16(19)10-6-2-4-8-12(10)18/h2-9H,1H3
InChIKey VHDLDUXWVVATNG-UHFFFAOYSA-N
Mol Weight 346.78 g/mol
Molecular Formula C17H11ClO4S
Exact Mass 346.006658 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHyc4KcdeI1
Name 3-HYDROXYBENZO[b]THIOPHENE-2-CARBOXYLIC ACID, METHYL ESTER,o-CHLOROBENZOATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11ClO4S
InChI InChI=1S/C17H11ClO4S/c1-21-17(20)15-14(11-7-3-5-9-13(11)23-15)22-16(19)10-6-2-4-8-12(10)18/h2-9H,1H3
InChIKey VHDLDUXWVVATNG-UHFFFAOYSA-N
Melting Point 147-149C
Molecular Weight 346.79
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZO/B/THIOPHENE-2-CARBOXYLIC ACID, 3-HYDROXY-, METHYL ESTER, O-CHLOROBENZOATE