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4-ACETYL-1,2-BIS-(2-CHLOROPHENYL)-1,2-DIHYDRO-5-METHYL-3H-PYRAZOL-3-ONE;ISOMER-#1
SpectraBase Compound ID J736wmmDXPP
InChI InChI=1S/C18H14Cl2N2O2/c1-11-17(12(2)23)18(24)22(16-10-6-4-8-14(16)20)21(11)15-9-5-3-7-13(15)19/h3-10H,1-2H3
InChIKey ZOTLTIYZCUIQDT-UHFFFAOYSA-N
Mol Weight 361.23 g/mol
Molecular Formula C18H14Cl2N2O2
Exact Mass 360.043233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lrwa8GNMmL6
Name 4-ACETYL-1,2-BIS-(2-CHLOROPHENYL)-1,2-DIHYDRO-5-METHYL-3H-PYRAZOL-3-ONE;ISOMER-#2
Compound Number 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14Cl2N2O2
InChI InChI=1S/C18H14Cl2N2O2/c1-11-17(12(2)23)18(24)22(16-10-6-4-8-14(16)20)21(11)15-9-5-3-7-13(15)19/h3-10H,1-2H3
InChIKey ZOTLTIYZCUIQDT-UHFFFAOYSA-N
Literature Reference Author G.CHISTE,H.EGG,K.KRAUS,E.PIPITZ,E.SPANYAR
Literature Reference Citation MH.CHEM.,122,537(1991)
Literature Reference DOI 10.1007/BF00809807
Molecular Weight 361.227 g/mol
Solvent CDCl3
Source File Reference UWFP254