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4-HYDROXY-3-THIOPHENECARBOXYLIC ACID, METHYL ESTER,alpha,alpha,alpha-TRIFLUORO-p-TOLUATE

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4-HYDROXY-3-THIOPHENECARBOXYLIC ACID, METHYL ESTER,alpha,alpha,alpha-TRIFLUORO-p-TOLUATE
SpectraBase Compound ID 1ZjRvo3lJ5o
InChI InChI=1S/C14H9F3O4S/c1-20-13(19)10-6-22-7-11(10)21-12(18)8-2-4-9(5-3-8)14(15,16)17/h2-7H,1H3
InChIKey LHYCWJHLDYYVSJ-UHFFFAOYSA-N
Mol Weight 330.28 g/mol
Molecular Formula C14H9F3O4S
Exact Mass 330.017364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5FrM866GKG
Name 4-HYDROXY-3-THIOPHENECARBOXYLIC ACID, METHYL ESTER,alpha,alpha,alpha-TRIFLUORO-p-TOLUATE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9F3O4S
InChI InChI=1S/C14H9F3O4S/c1-20-13(19)10-6-22-7-11(10)21-12(18)8-2-4-9(5-3-8)14(15,16)17/h2-7H,1H3
InChIKey LHYCWJHLDYYVSJ-UHFFFAOYSA-N
Melting Point 82-85C
Molecular Weight 330.28
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 3-THIOPHENECARBOXYLIC ACID, 4-HYDROXY-, METHYL ESTER, alpha,alpha,alpha-TRIFLUORO-p-TOLUATE