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(Z)-2-BENZYL-2,4-DIHYDRO-4-[1-(HYDROXYAMINO)-ETHYLIDENE]-5-METHYL-3H-PYRAZOL-3-ONE;ISOMER-X
SpectraBase Compound ID ANQhSs12Be
InChI InChI=1S/C13H15N3O2/c1-9-12(10(2)15-18)13(17)16(14-9)8-11-6-4-3-5-7-11/h3-7,12,18H,8H2,1-2H3/b15-10-
InChIKey WZWZOONHKRKXNV-GDNBJRDFSA-N
Mol Weight 245.28 g/mol
Molecular Formula C13H15N3O2
Exact Mass 245.116427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 963RnfygH8z
Name (Z)-2-BENZYL-2,4-DIHYDRO-4-[1-(HYDROXYAMINO)-ETHYLIDENE]-5-METHYL-3H-PYRAZOL-3-ONE;ISOMER-X
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N3O2
InChI InChI=1S/C13H15N3O2/c1-9-12(10(2)15-18)13(17)16(14-9)8-11-6-4-3-5-7-11/h3-7,12,18H,8H2,1-2H3/b15-10-
InChIKey WZWZOONHKRKXNV-GDNBJRDFSA-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 244.273 g/mol
Solvent DMSO-D6
Source File Reference UWVN20714