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3-amino-4-(isopropylsulfonyl)-2-thiophenecarboxylic acid, p-chlorophenacyl ester
SpectraBase Compound ID L5ZcsDdImp9
InChI InChI=1S/C16H16ClNO5S2/c1-9(2)25(21,22)13-8-24-15(14(13)18)16(20)23-7-12(19)10-3-5-11(17)6-4-10/h3-6,8-9H,7,18H2,1-2H3
InChIKey DKFUXXKBOVSAIR-UHFFFAOYSA-N
Mol Weight 401.88 g/mol
Molecular Formula C16H16ClNO5S2
Exact Mass 401.015843 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1xYcFm06WU3
Name 3-AMINO-4-(ISOPROPYLSULFONYL)-2-THIOPHENECARBOXYLIC ACID, p-CHLOROPHENACYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16ClNO5S2
InChI InChI=1S/C16H16ClNO5S2/c1-9(2)25(21,22)13-8-24-15(14(13)18)16(20)23-7-12(19)10-3-5-11(17)6-4-10/h3-6,8-9H,7,18H2,1-2H3
InChIKey DKFUXXKBOVSAIR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 185-186.5C
Molecular Weight 401.89
Solvent Polysol; Reference=TMS; Temperature 297K