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

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5-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1-[(2E)-3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID DLCbsEpdkzG
InChI InChI=1S/C27H26N2O3/c1-19-9-12-21(13-10-19)24-18-25(23-17-22(31-2)14-15-26(23)32-3)29(28-24)27(30)16-11-20-7-5-4-6-8-20/h4-17,25H,18H2,1-3H3/b16-11+
InChIKey IAQXOEDBIGUBBL-LFIBNONCSA-N
Mol Weight 426.52 g/mol
Molecular Formula C27H26N2O3
Exact Mass 426.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6Qfsw1HUwm
Name 5-(2,5-Dimethoxyphenyl)-3-(4-methylphenyl)-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 426.194342702 u
Formula C27H26N2O3
InChI InChI=1S/C27H26N2O3/c1-19-9-12-21(13-10-19)24-18-25(23-17-22(31-2)14-15-26(23)32-3)29(28-24)27(30)16-11-20-7-5-4-6-8-20/h4-17,25H,18H2,1-3H3/b16-11+
InChIKey IAQXOEDBIGUBBL-LFIBNONCSA-N
Molecular Weight 426.516 g/mol
SMILES C1=CC=C(\C=C\C(N2N=C(C=3C=CC(=CC3)C)CC2C=2C(=CC=C(C2)OC)OC)=O)C=C1