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 Google Search
Mol Weight	532.6 g/mol
Molecular Formula	C33H28N2O5
Exact Mass	532.199822 g/mol

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SpectraBase Spectrum ID	CHv3aN4YrsP
Name	2-{5-(3,4-dimethoxyphenyl)-1-[(2E)-3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl benzoate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3884
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D99788; Labnumber: RRMEZ-1582; SBI_ID: SBI-003886
Synonyms	2-{5-(3,4-dimethoxyphenyl)-1-[3-phenyl-2-propenoyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl benzoate
Temperature	315 °C