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5-tert-butyl-{[(p-chlorophenyl)thio]methyl}-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID INOl13DPbsm
InChI InChI=1S/C17H19ClO2S2/c1-17(2,3)14-9-11(15(22-14)16(19)20-4)10-21-13-7-5-12(18)6-8-13/h5-9H,10H2,1-4H3
InChIKey GAJRAUUZLXCYDQ-UHFFFAOYSA-N
Mol Weight 354.91 g/mol
Molecular Formula C17H19ClO2S2
Exact Mass 354.0515 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JkI1PfLedNd
Name 5-tert-BUTYL-3-{[(p-CHLOROPHENYL)THIO]METHYL}2-THIOPHENE-CARBOXYLIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO2S2
InChI InChI=1S/C17H19ClO2S2/c1-17(2,3)14-9-11(15(22-14)16(19)20-4)10-21-13-7-5-12(18)6-8-13/h5-9H,10H2,1-4H3
InChIKey GAJRAUUZLXCYDQ-UHFFFAOYSA-N
Melting Point 69-70C
Molecular Weight 354.92
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2-THIOPHENECARBOXYLIC ACID, 5-tert-BUTYL-3-///P-CHLOROPHENYL/THIO/METHYL/-, METHYL ESTER