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4-[(3-bromo-5-ethoxy-4-methoxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID GEsJS8PhOcK
InChI InChI=1S/C32H33BrN4O4/c1-7-41-26-19-22(18-25(33)30(26)40-6)29(27-20(2)34(4)36(31(27)38)23-14-10-8-11-15-23)28-21(3)35(5)37(32(28)39)24-16-12-9-13-17-24/h8-19,29H,7H2,1-6H3
InChIKey OIASWZYCBBRDHO-UHFFFAOYSA-N
Mol Weight 617.5 g/mol
Molecular Formula C32H33BrN4O4
Exact Mass 616.168519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QB6YgQI7Fj
Name 4-[(3-Bromo-5-ethoxy-4-methoxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 616.168518555 u
Formula C32H33BrN4O4
InChI InChI=1S/C32H33BrN4O4/c1-7-41-26-19-22(18-25(33)30(26)40-6)29(27-20(2)34(4)36(31(27)38)23-14-10-8-11-15-23)28-21(3)35(5)37(32(28)39)24-16-12-9-13-17-24/h8-19,29H,7H2,1-6H3
InChIKey OIASWZYCBBRDHO-UHFFFAOYSA-N
Molecular Weight 617.544 g/mol
SMILES C=1(C(N(C=2C=CC=CC2)N(C1C)C)=O)C(C=1C(N(C2=CC=CC=C2)N(C1C)C)=O)C1=CC(Br)=C(C(=C1)OCC)OC