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3-amino-4-(isopropylsulfonyl)-2-thiophenecarboxylic acid, phenacyl ester

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

3-amino-4-(isopropylsulfonyl)-2-thiophenecarboxylic acid, phenacyl ester
SpectraBase Compound ID 4rUOc1AWQw8
InChI InChI=1S/C16H17NO5S2/c1-10(2)24(20,21)13-9-23-15(14(13)17)16(19)22-8-12(18)11-6-4-3-5-7-11/h3-7,9-10H,8,17H2,1-2H3
InChIKey IAULKNMITKWXCZ-UHFFFAOYSA-N
Mol Weight 367.43 g/mol
Molecular Formula C16H17NO5S2
Exact Mass 367.054815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EppZFENkvjE
Name 3-AMINO-4-(ISOPROPYLSULFONYL)-2-THIOPHENECARBOXYLIC ACID, PHENACYLESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO5S2
InChI InChI=1S/C16H17NO5S2/c1-10(2)24(20,21)13-9-23-15(14(13)17)16(19)22-8-12(18)11-6-4-3-5-7-11/h3-7,9-10H,8,17H2,1-2H3
InChIKey IAULKNMITKWXCZ-UHFFFAOYSA-N
Melting Point 162-164.5C
Molecular Weight 367.45
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2-THIOPHENECARBOXYLIC ACID, 3-AMINO-4-/ISOPROPYLSULFONYL/-, PHENACYL ESTER