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Tert-butyl 2-{1-[3-(4-cyanophenyl)-5-hydroxy-1-phenyl-1H-pyrazol-4-yl]ethylidene}hydrazinecarboxylate
SpectraBase Compound ID GcyNjPcPPwO
InChI InChI=1S/C23H23N5O3/c1-15(25-26-22(30)31-23(2,3)4)19-20(17-12-10-16(14-24)11-13-17)27-28(21(19)29)18-8-6-5-7-9-18/h5-13,29H,1-4H3,(H,26,30)
InChIKey WETCWTUFXZKMKP-UHFFFAOYSA-N
Mol Weight 417.47 g/mol
Molecular Formula C23H23N5O3
Exact Mass 417.18009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56jFrc0t6gw
Name Tert-butyl 2-{1-[3-(4-cyanophenyl)-5-hydroxy-1-phenyl-1H-pyrazol-4-yl]ethylidene}hydrazinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.180089618 u
Formula C23H23N5O3
InChI InChI=1S/C23H23N5O3/c1-15(25-26-22(30)31-23(2,3)4)19-20(17-12-10-16(14-24)11-13-17)27-28(21(19)29)18-8-6-5-7-9-18/h5-13,29H,1-4H3,(H,26,30)
InChIKey WETCWTUFXZKMKP-UHFFFAOYSA-N
Molecular Weight 417.469 g/mol
SMILES C(N\N=C\(C1=C(O)N(C2=CC=CC=C2)N=C1C1=CC=C(C#N)C=C1)C)(OC(C)(C)C)=O