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5-tert-butyl-3-{[(4-chloro-2,5-xylyl)sulfonyl]methyl}-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 4JYASiw2foK
InChI InChI=1S/C19H23ClO4S2/c1-11-8-15(12(2)7-14(11)20)26(22,23)10-13-9-16(19(3,4)5)25-17(13)18(21)24-6/h7-9H,10H2,1-6H3
InChIKey YJIXTBHLNMZQHO-UHFFFAOYSA-N
Mol Weight 414.96 g/mol
Molecular Formula C19H23ClO4S2
Exact Mass 414.072629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vvGMazeFTc
Name 5-tert-BUTYL-3-{[(4-CHLORO-2,5-XYLYL)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 C19H23ClO4S2
InChI InChI=1S/C19H23ClO4S2/c1-11-8-15(12(2)7-14(11)20)26(22,23)10-13-9-16(19(3,4)5)25-17(13)18(21)24-6/h7-9H,10H2,1-6H3
InChIKey YJIXTBHLNMZQHO-UHFFFAOYSA-N
Molecular Weight 414.97
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-THIOPHENECARBOXYLIC ACID, 5-tert-BUTYL-3-///4-CHLORO-2,5-XYLYL/SULFONYL/METHYL/-, METHYL ESTER