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3-chloro-4-(isopropylsulfonyl)-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester

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3-chloro-4-(isopropylsulfonyl)-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 5VHitDEutwh
InChI InChI=1S/C10H13ClO4S3/c1-5(2)18(13,14)8-6(11)7(9(12)15-3)17-10(8)16-4/h5H,1-4H3
InChIKey OONHSMRZURYOPG-UHFFFAOYSA-N
Mol Weight 328.84 g/mol
Molecular Formula C10H13ClO4S3
Exact Mass 327.96645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUDeTGlDSfo
Name 3-CHLORO-4-(ISOPROPYLSULFONYL)-5-(METHYLTHIO)-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13ClO4S3
InChI InChI=1S/C10H13ClO4S3/c1-5(2)18(13,14)8-6(11)7(9(12)15-3)17-10(8)16-4/h5H,1-4H3
InChIKey OONHSMRZURYOPG-UHFFFAOYSA-N
Melting Point 141-143.5C
Molecular Weight 328.86
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-THIOPHENECARBOXYLIC ACID, 3-CHLORO- 4-/ISOPROPYLSULFONYL/-5-/METHYLTHIO/-, METHYL ESTER