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(Z)-2,4-DIHYDRO-4-[1-(HYDROXYAMINO)-ETHYLIDENE]-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONE;ISOMER-X
SpectraBase Compound ID 7zW5Rcqc8nn
InChI InChI=1S/C12H13N3O2/c1-8-11(9(2)14-17)12(16)15(13-8)10-6-4-3-5-7-10/h3-7,11,17H,1-2H3/b14-9-
InChIKey IOKULDITHLGXCJ-ZROIWOOFSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cmds52SbdU6
Name (Z)-2,4-DIHYDRO-4-[1-(HYDROXYAMINO)-ETHYLIDENE]-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONE;ISOMER-Y
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N3O2
InChI InChI=1S/C12H13N3O2/c1-8-11(9(2)14-17)12(16)15(13-8)10-6-4-3-5-7-10/h3-7,11,17H,1-2H3/b14-9-
InChIKey IOKULDITHLGXCJ-ZROIWOOFSA-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 230.246 g/mol
Solvent DMSO-D6
Source File Reference UWVN20712