3-{(4E)-4-[2-(benzyloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid

SpectraBase Compound ID	6KqYQHKIVEh
InChI	InChI=1S/C25H20N2O4/c1-17-22(24(28)27(26-17)21-12-7-11-20(14-21)25(29)30)15-19-10-5-6-13-23(19)31-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,29,30)/b22-15+
InChIKey	PFSVHTWJWYFYMK-PXLXIMEGSA-N Google Search
Mol Weight	412.45 g/mol
Molecular Formula	C25H20N2O4
Exact Mass	412.142307 g/mol

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SpectraBase Spectrum ID	BLESkO56th7
Name	3-{(4E)-4-[2-(benzyloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
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/C25H20N2O4/c1-17-22(24(28)27(26-17)21-12-7-11-20(14-21)25(29)30)15-19-10-5-6-13-23(19)31-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,29,30)/b22-15+
InChIKey	PFSVHTWJWYFYMK-PXLXIMEGSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16993
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: UZI/9015945; UBI_ID: UBI-016996
Synonyms	3-{4-[2-(benzyloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Temperature	308 °C