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5-AMINO-4,4-BIS-(2'-PHENYLSULFONYLETHYL)-PYRAZOL-3-ONE
SpectraBase Compound ID FJbcNDChRes
InChI InChI=1S/C19H21N3O5S2/c20-17-19(18(23)22-21-17,11-13-28(24,25)15-7-3-1-4-8-15)12-14-29(26,27)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,20,21)(H,22,23)
InChIKey GWXMNYSNISNYKG-UHFFFAOYSA-N
Mol Weight 435.51 g/mol
Molecular Formula C19H21N3O5S2
Exact Mass 435.092263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DvXK9AyypN
Name 5-AMINO-4,4-BIS-(2'-PHENYLSULFONYLETHYL)-PYRAZOL-3-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21N3O5S2
InChI InChI=1S/C19H21N3O5S2/c20-17-19(18(23)22-21-17,11-13-28(24,25)15-7-3-1-4-8-15)12-14-29(26,27)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,20,21)(H,22,23)
InChIKey GWXMNYSNISNYKG-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 435.513 g/mol
Sample ID 56014
Solvent CDCl3:DMSO-D6