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

View entire compound with spectra: 2 NMR

3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-1-[(2E)-3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 6Rud8F744KC
InChI InChI=1S/C26H23BrN2O3/c1-31-24-10-6-9-21(26(24)32-2)23-17-22(19-12-14-20(27)15-13-19)28-29(23)25(30)16-11-18-7-4-3-5-8-18/h3-16,23H,17H2,1-2H3/b16-11+
InChIKey RIEMLZVPNVCIOF-LFIBNONCSA-N
Mol Weight 491.39 g/mol
Molecular Formula C26H23BrN2O3
Exact Mass 490.089206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UjApM7TzYT
Name 3-(4-Bromophenyl)-5-(2,3-dimethoxyphenyl)-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 490.089205606 u
Formula C26H23BrN2O3
InChI InChI=1S/C26H23BrN2O3/c1-31-24-10-6-9-21(26(24)32-2)23-17-22(19-12-14-20(27)15-13-19)28-29(23)25(30)16-11-18-7-4-3-5-8-18/h3-16,23H,17H2,1-2H3/b16-11+
InChIKey RIEMLZVPNVCIOF-LFIBNONCSA-N
Molecular Weight 491.385 g/mol
SMILES C=1C=CC(\C=C\C(N2N=C(C3=CC=C(C=C3)Br)CC2C=2C(=C(OC)C=CC2)OC)=O)=CC1