4-[3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SpectraBase Compound ID	IyZ61j7DaFI
InChI	InChI=1S/C21H21FN2O5/c1-28-18-8-7-13(11-19(18)29-2)16-12-17(14-5-3-4-6-15(14)22)24(23-16)20(25)9-10-21(26)27/h3-8,11,17H,9-10,12H2,1-2H3,(H,26,27)
InChIKey	HEDODYYCAWBIQR-UHFFFAOYSA-N Google Search
Mol Weight	400.41 g/mol
Molecular Formula	C21H21FN2O5
Exact Mass	400.14345 g/mol

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SpectraBase Spectrum ID	F7VO35w70MS
Name	4-[3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-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/C21H21FN2O5/c1-28-18-8-7-13(11-19(18)29-2)16-12-17(14-5-3-4-6-15(14)22)24(23-16)20(25)9-10-21(26)27/h3-8,11,17H,9-10,12H2,1-2H3,(H,26,27)
InChIKey	HEDODYYCAWBIQR-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_6429
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: 123635; Labnumber: EX00124855; VK_ID: VK-006432
Temperature	315 °C