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(Z)-2,4-DIHYDRO-2,5-DIMETHYL-4-[(HYDROXYAMINO)-(2-THIENYL)-METHYLENE]-3H-PYRAZOL-3-ONE;ISOMER-X
SpectraBase Compound ID 16fIlk4IzH2
InChI InChI=1S/C10H11N3O2S/c1-6-8(10(14)13(2)11-6)9(12-15)7-4-3-5-16-7/h3-5,8,15H,1-2H3/b12-9+
InChIKey GKHPBRZUGPKYKP-FMIVXFBMSA-N
Mol Weight 237.28 g/mol
Molecular Formula C10H11N3O2S
Exact Mass 237.057198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cAIdqAmXau
Name (Z)-2,4-DIHYDRO-2,5-DIMETHYL-4-[(HYDROXYAMINO)-(2-THIENYL)-METHYLENE]-3H-PYRAZOL-3-ONE;ISOMER-Y
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10N3O2S
InChI InChI=1S/C10H11N3O2S/c1-6-8(10(14)13(2)11-6)9(12-15)7-4-3-5-16-7/h3-5,8,15H,1-2H3/b12-9+
InChIKey GKHPBRZUGPKYKP-FMIVXFBMSA-N
Literature Reference Author W.HOLZER,R.M.CLARAMUNT,M.PEREZ-TORRALBA,D.GUGGI,T.H.BREHMER
Literature Reference Citation J.ORG.CHEM.,68,7943(2003)
Literature Reference DOI 10.1021/jo030131t
Molecular Weight 236.268 g/mol
Solvent DMSO-D6
Source File Reference UWVN20707