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3-Amino-4-(isopropylsulfonyl)-2-thiophenecarboxylic acid, 3,4-dichlorophenacyl ester

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

3-Amino-4-(isopropylsulfonyl)-2-thiophenecarboxylic acid, 3,4-dichlorophenacyl ester
SpectraBase Compound ID Hxb5HMJGSsx
InChI InChI=1S/C16H15Cl2NO5S2/c1-8(2)26(22,23)13-7-25-15(14(13)19)16(21)24-6-12(20)9-3-4-10(17)11(18)5-9/h3-5,7-8H,6,19H2,1-2H3
InChIKey NYRHNALIEIZLRT-UHFFFAOYSA-N
Mol Weight 436.32 g/mol
Molecular Formula C16H15Cl2NO5S2
Exact Mass 434.97687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQOBJ1ySOwD
Name 3-Amino-4-(isopropylsulfonyl)-2-thiophenecarboxylic acid, 3,4-dichlorophenacyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.976870330 u
Formula C16H15Cl2NO5S2
InChI InChI=1S/C16H15Cl2NO5S2/c1-8(2)26(22,23)13-7-25-15(14(13)19)16(21)24-6-12(20)9-3-4-10(17)11(18)5-9/h3-5,7-8H,6,19H2,1-2H3
InChIKey NYRHNALIEIZLRT-UHFFFAOYSA-N
Molecular Weight 436.324 g/mol
SMILES NC=1C(=CSC1C(OCC(C1=CC=C(C(=C1)Cl)Cl)=O)=O)S(=O)(=O)C(C)C