4-{3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-4-oxobutanoic acid

SpectraBase Compound ID	2tCCj9qS7xP
InChI	InChI=1S/C21H22ClN3O3/c1-24(2)17-9-5-15(6-10-17)19-13-18(14-3-7-16(22)8-4-14)23-25(19)20(26)11-12-21(27)28/h3-10,19H,11-13H2,1-2H3,(H,27,28)
InChIKey	QEXXSDPLTRYSMZ-UHFFFAOYSA-N Google Search
Mol Weight	399.88 g/mol
Molecular Formula	C21H22ClN3O3
Exact Mass	399.134969 g/mol

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SpectraBase Spectrum ID	9mYzh6crbyU
Name	4-{3-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-4-oxobutanoic 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/C21H22ClN3O3/c1-24(2)17-9-5-15(6-10-17)19-13-18(14-3-7-16(22)8-4-14)23-25(19)20(26)11-12-21(27)28/h3-10,19H,11-13H2,1-2H3,(H,27,28)
InChIKey	QEXXSDPLTRYSMZ-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6466
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: 123675; Labnumber: EX00124917; VK_ID: VK-006469
Temperature	315 °C