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4,4',4"-tris[1,5-Dimethyl-3-oxo-2-phenyl-1,2-dihydro-3H-pyrazolyl]methane

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4,4',4"-tris[1,5-Dimethyl-3-oxo-2-phenyl-1,2-dihydro-3H-pyrazolyl]methane
SpectraBase Compound ID 3DXtsISmJdH
InChI InChI=1S/C34H34N6O3/c1-22-28(32(41)38(35(22)4)25-16-10-7-11-17-25)31(29-23(2)36(5)39(33(29)42)26-18-12-8-13-19-26)30-24(3)37(6)40(34(30)43)27-20-14-9-15-21-27/h7-21,31H,1-6H3
InChIKey DYVYNDQAUKBUCP-UHFFFAOYSA-N
Mol Weight 574.7 g/mol
Molecular Formula C34H34N6O3
Exact Mass 574.269239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G709fEgdMf3
Name 4,4',4''-Tris[1,5-dimethyl-3-oxo-2-phenyl-1,2-dihydro-3H-pyrazolyl]methane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 574.269238976 u
Formula C34H34N6O3
InChI InChI=1S/C34H34N6O3/c1-22-28(32(41)38(35(22)4)25-16-10-7-11-17-25)31(29-23(2)36(5)39(33(29)42)26-18-12-8-13-19-26)30-24(3)37(6)40(34(30)43)27-20-14-9-15-21-27/h7-21,31H,1-6H3
InChIKey DYVYNDQAUKBUCP-UHFFFAOYSA-N
Molecular Weight 574.685 g/mol
SMILES C=1(C(N(C2=CC=CC=C2)N(C1C)C)=O)C(C=1C(N(C2=CC=CC=C2)N(C1C)C)=O)C=1C(N(C2=CC=CC=C2)N(C1C)C)=O