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5-tert-butyl-3-{[(p-chlorophenyl)sulfonyl]methyl}-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID FrqVwdPqWmc
InChI InChI=1S/C17H19ClO4S2/c1-17(2,3)14-9-11(15(23-14)16(19)22-4)10-24(20,21)13-7-5-12(18)6-8-13/h5-9H,10H2,1-4H3
InChIKey HRQYLXSVNNZTOI-UHFFFAOYSA-N
Mol Weight 386.91 g/mol
Molecular Formula C17H19ClO4S2
Exact Mass 386.041329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FLGsiq83Ee
Name 5-tert-BUTYL-3-{[(p-CHLOROPHENYL)SULFONYL]METHYL}-2-THIOPHENECARBOXYLIC 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 C17H19ClO4S2
InChI InChI=1S/C17H19ClO4S2/c1-17(2,3)14-9-11(15(23-14)16(19)22-4)10-24(20,21)13-7-5-12(18)6-8-13/h5-9H,10H2,1-4H3
InChIKey HRQYLXSVNNZTOI-UHFFFAOYSA-N
Melting Point 126-128C
Molecular Weight 386.92
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-THIOPHENECARBOXYLIC ACID, 5-tert-BUTYL-3-///P-CHLOROPHENYL/SULFONYL/METHYL/-, METHYL ESTER