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3-iodo-4-(isopropylsulfonyl)-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID 8Pvl2tsVkf3
InChI InChI=1S/C10H13IO4S3/c1-5(2)18(13,14)8-6(11)7(9(12)15-3)17-10(8)16-4/h5H,1-4H3
InChIKey JJVTWHIJTPKSOT-UHFFFAOYSA-N
Mol Weight 420.29 g/mol
Molecular Formula C10H13IO4S3
Exact Mass 419.902067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B4O9Z5G1b03
Name 3-IODO-4-(ISOPROPYLSULFONYL)-5-(METHYLTHIO)-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13IO4S3
InChI InChI=1S/C10H13IO4S3/c1-5(2)18(13,14)8-6(11)7(9(12)15-3)17-10(8)16-4/h5H,1-4H3
InChIKey JJVTWHIJTPKSOT-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 193-195C
Molecular Weight 420.31
Solvent CDCl3; Reference=TMS; Temperature 297K