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3-(4-bromophenyl)-5-(4-methoxyphenyl)-1-[(2E)-3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 2 NMR

3-(4-bromophenyl)-5-(4-methoxyphenyl)-1-[(2E)-3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 964eeuhoRqB
InChI InChI=1S/C25H21BrN2O2/c1-30-22-14-10-20(11-15-22)24-17-23(19-8-12-21(26)13-9-19)27-28(24)25(29)16-7-18-5-3-2-4-6-18/h2-16,24H,17H2,1H3/b16-7+
InChIKey REWFTXBYCSRJAX-FRKPEAEDSA-N
Mol Weight 461.36 g/mol
Molecular Formula C25H21BrN2O2
Exact Mass 460.078641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWa1PF5Ap7K
Name 3-(4-Bromophenyl)-5-(4-methoxyphenyl)-1-[(2E)-3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.078640922 u
Formula C25H21BrN2O2
InChI InChI=1S/C25H21BrN2O2/c1-30-22-14-10-20(11-15-22)24-17-23(19-8-12-21(26)13-9-19)27-28(24)25(29)16-7-18-5-3-2-4-6-18/h2-16,24H,17H2,1H3/b16-7+
InChIKey REWFTXBYCSRJAX-FRKPEAEDSA-N
Molecular Weight 461.359 g/mol
SMILES C=1C=CC(\C=C\C(N2N=C(C3=CC=C(C=C3)Br)CC2C2=CC=C(C=C2)OC)=O)=CC1