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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) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVQUJ2Km6yS
Name 3-iodo-4-(isopropylsulfonyl)-5-(methylthio)-2-thiophenecarboxylic acid, methyl ester
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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 Varian CFT-20
Sadtler NMR Number 57282M
Solvent CDCl3