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5-AMINO-4-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-PHENYLETHYL]-PYRAZOL-3-ONE
SpectraBase Compound ID Lxr5mqIlcdC
InChI InChI=1S/C18H18ClN3O3S/c19-14-8-6-12(7-9-14)10-26(24,25)11-15(13-4-2-1-3-5-13)16-17(20)21-22-18(16)23/h1-9,15-16H,10-11H2,(H2,20,21)(H,22,23)
InChIKey NRNIEYRWCAWQMJ-UHFFFAOYSA-N
Mol Weight 391.87 g/mol
Molecular Formula C18H18ClN3O3S
Exact Mass 391.07574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52wP16c9jTL
Name 5-AMINO-4-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-PHENYLETHYL]-PYRAZOL-3-ONE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18ClN3O3S
InChI InChI=1S/C18H18ClN3O3S/c19-14-8-6-12(7-9-14)10-26(24,25)11-15(13-4-2-1-3-5-13)16-17(20)21-22-18(16)23/h1-9,15-16H,10-11H2,(H2,20,21)(H,22,23)
InChIKey NRNIEYRWCAWQMJ-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 391.872 g/mol
Sample ID 56017
Solvent CDCl3:DMSO-D6