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2-thiopheneacrylic acid, ester with 3-chloro-4-hydroxybenzoic acid, ethyl ester
SpectraBase Compound ID LvugIfaZOKO
InChI InChI=1S/C16H13ClO4S/c1-2-20-16(19)11-5-7-14(13(17)10-11)21-15(18)8-6-12-4-3-9-22-12/h3-10H,2H2,1H3
InChIKey CBLLKWVKQLPJQF-UHFFFAOYSA-N
Mol Weight 336.79 g/mol
Molecular Formula C16H13ClO4S
Exact Mass 336.022308 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQ1r7RncVsV
Name 2-THIOPHENEACRYLIC ACID, ESTER WITH 3-CHLORO-4-HYDROXYBENZOIC ACID, ETHYL ESTER
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 C16H13ClO4S
InChI InChI=1S/C16H13ClO4S/c1-2-20-16(19)11-5-7-14(13(17)10-11)21-15(18)8-6-12-4-3-9-22-12/h3-10H,2H2,1H3
InChIKey CBLLKWVKQLPJQF-UHFFFAOYSA-N
Melting Point 77-80C
Molecular Weight 336.80
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 3-CHLORO-4-HYDROXY-, ETHYL ESTER, 2-THIOPHENEACRYLATE (ESTER) 2-THIOPHENEACRYLIC ACID, ESTER WITH 3-CHLORO-4-HYDROXYBENZOIC ACID, ETHYL ESTER