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5-AMINO-4-[2'-(4-CHLOROPHENYLMETHANESULFONYL)-1'-(4-CHLOROPHENYL)-ETHYL]-PYRAZOL-3-ONE

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5-AMINO-4-[2'-(4-CHLOROPHENYLMETHANESULFONYL)-1'-(4-CHLOROPHENYL)-ETHYL]-PYRAZOL-3-ONE
SpectraBase Compound ID AMk5irchld7
InChI InChI=1S/C18H17Cl2N3O3S/c19-13-5-1-11(2-6-13)9-27(25,26)10-15(12-3-7-14(20)8-4-12)16-17(21)22-23-18(16)24/h1-8,15-16H,9-10H2,(H2,21,22)(H,23,24)
InChIKey VAACAUUCGAAZES-UHFFFAOYSA-N
Mol Weight 426.32 g/mol
Molecular Formula C18H17Cl2N3O3S
Exact Mass 425.036768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7reRODSn9kX
Name 5-AMINO-4-[2'-(4-CHLOROPHENYLMETHANESULFONYL)-1'-(4-CHLOROPHENYL)-ETHYL]-PYRAZOL-3-ONE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17Cl2N3O3S
InChI InChI=1S/C18H17Cl2N3O3S/c19-13-5-1-11(2-6-13)9-27(25,26)10-15(12-3-7-14(20)8-4-12)16-17(21)22-23-18(16)24/h1-8,15-16H,9-10H2,(H2,21,22)(H,23,24)
InChIKey VAACAUUCGAAZES-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,D.R.C.V.SUBBAIAH,K.MAHESH,T.R.LAKSHMI
Literature Reference Citation CHEM.PHARM.BULL.,55,1704(2007)
Literature Reference DOI 10.1248/cpb.55.1704
Molecular Weight 426.317 g/mol
Sample ID 56018
Solvent CDCl3:DMSO-D6