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2-{5-(3,4-dimethoxyphenyl)-1-[(2E)-3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl benzoate

View entire compound with spectra: 2 NMR

2-{5-(3,4-dimethoxyphenyl)-1-[(2E)-3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl benzoate
SpectraBase Compound ID KcoByELH77a
InChI InChI=1S/C33H28N2O5/c1-38-30-19-18-25(21-31(30)39-2)28-22-27(34-35(28)32(36)20-17-23-11-5-3-6-12-23)26-15-9-10-16-29(26)40-33(37)24-13-7-4-8-14-24/h3-21,28H,22H2,1-2H3/b20-17+
InChIKey RKUAEYAQLCOMNI-LVZFUZTISA-N
Mol Weight 532.6 g/mol
Molecular Formula C33H28N2O5
Exact Mass 532.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSCSuySssuG
Name 2-{5-(3,4-Dimethoxyphenyl)-1-[(2E)-3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.199822005 u
Formula C33H28N2O5
InChI InChI=1S/C33H28N2O5/c1-38-30-19-18-25(21-31(30)39-2)28-22-27(34-35(28)32(36)20-17-23-11-5-3-6-12-23)26-15-9-10-16-29(26)40-33(37)24-13-7-4-8-14-24/h3-21,28H,22H2,1-2H3/b20-17+
InChIKey RKUAEYAQLCOMNI-LVZFUZTISA-N
Molecular Weight 532.596 g/mol
SMILES C1=CC=C(C(OC=2C(C3=NN(C(C3)C3=CC(OC)=C(C=C3)OC)C(\C=C\C3=CC=CC=C3)=O)=CC=CC2)=O)C=C1