For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-[(2-bromo-5-hydroxyphenyl)(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

View entire compound with spectra: 2 NMR

4-[(2-bromo-5-hydroxyphenyl)(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 54SY7WtgF2Z
InChI InChI=1S/C29H27BrN4O3/c1-18-25(28(36)33(31(18)3)20-11-7-5-8-12-20)27(23-17-22(35)15-16-24(23)30)26-19(2)32(4)34(29(26)37)21-13-9-6-10-14-21/h5-17,27,35H,1-4H3
InChIKey CFIRIJNLMUJMKU-UHFFFAOYSA-N
Mol Weight 559.46 g/mol
Molecular Formula C29H27BrN4O3
Exact Mass 558.126654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G2SmTvJYKIl
Name 4-[(2-Bromo-5-hydroxyphenyl)(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 558.126653742 u
Formula C29H27BrN4O3
InChI InChI=1S/C29H27BrN4O3/c1-18-25(28(36)33(31(18)3)20-11-7-5-8-12-20)27(23-17-22(35)15-16-24(23)30)26-19(2)32(4)34(29(26)37)21-13-9-6-10-14-21/h5-17,27,35H,1-4H3
InChIKey CFIRIJNLMUJMKU-UHFFFAOYSA-N
Molecular Weight 559.464 g/mol
SMILES OC=1C=C(C(C=2C(N(C3=CC=CC=C3)N(C2C)C)=O)C=2C(N(C3=CC=CC=C3)N(C2C)C)=O)C(=CC1)Br