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5-tert-butyl-3-[(p-tolylsulfonyl)methyl]-2-thiophenecarboxylic acid, methyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

5-tert-butyl-3-[(p-tolylsulfonyl)methyl]-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 8MrriDluklb
InChI InChI=1S/C18H22O4S2/c1-12-6-8-14(9-7-12)24(20,21)11-13-10-15(18(2,3)4)23-16(13)17(19)22-5/h6-10H,11H2,1-5H3
InChIKey GBPRRXOKPWJHQF-UHFFFAOYSA-N
Mol Weight 366.49 g/mol
Molecular Formula C18H22O4S2
Exact Mass 366.095952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZWpriJhmbA
Name 5-tert-BUTYL-3-[(p-TOLYLSULFONYL)METHYL]-2-THIOPHENECARBOXYLICACID, 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 C18H22O4S2
InChI InChI=1S/C18H22O4S2/c1-12-6-8-14(9-7-12)24(20,21)11-13-10-15(18(2,3)4)23-16(13)17(19)22-5/h6-10H,11H2,1-5H3
InChIKey GBPRRXOKPWJHQF-UHFFFAOYSA-N
Molecular Weight 366.50
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-THIOPHENECARBOXYLIC ACID, 5-tert-BUTYL-3-//P-TOLYLSULFONYL/METHYL/-, METHYL ESTER