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4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate

View entire compound with spectra: 2 NMR

4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate
SpectraBase Compound ID qweUrWRSry
InChI InChI=1S/C35H30N4O5/c1-22-30(33(40)38(36-22)26-10-6-4-7-11-26)32(31-23(2)37-39(34(31)41)27-12-8-5-9-13-27)24-14-20-29(21-15-24)44-35(42)25-16-18-28(43-3)19-17-25/h4-21,32,40-41H,1-3H3
InChIKey PYWGPCRSGZJBJR-UHFFFAOYSA-N
Mol Weight 586.6 g/mol
Molecular Formula C35H30N4O5
Exact Mass 586.22162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sFv73ZxDv5
Name 4-[bis(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]phenyl 4-methoxybenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 586.221620077 u
Formula C35H30N4O5
InChI InChI=1S/C35H30N4O5/c1-22-30(33(40)38(36-22)26-10-6-4-7-11-26)32(31-23(2)37-39(34(31)41)27-12-8-5-9-13-27)24-14-20-29(21-15-24)44-35(42)25-16-18-28(43-3)19-17-25/h4-21,32,40-41H,1-3H3
InChIKey PYWGPCRSGZJBJR-UHFFFAOYSA-N
Molecular Weight 586.648 g/mol
SMILES OC1=C(C(C2=C(N(N=C2C)C=2C=CC=CC2)O)C2=CC=C(OC(C3=CC=C(C=C3)OC)=O)C=C2)C(=NN1C1=CC=CC=C1)C