3,3,3-Trifluoro-2-(2-fluoro-benzoylamino)-2-(5-methyl-2-phenyl-2H-pyrazol-3-ylamino)-propionic acid methyl ester

SpectraBase Compound ID	BLPQr0TDrlg
InChI	InChI=1S/C21H18F4N4O3/c1-13-12-17(29(28-13)14-8-4-3-5-9-14)26-20(19(31)32-2,21(23,24)25)27-18(30)15-10-6-7-11-16(15)22/h3-12,26H,1-2H3,(H,27,30)
InChIKey	FHZRICVWRLYMFX-UHFFFAOYSA-N Google Search
Mol Weight	450.39 g/mol
Molecular Formula	C21H18F4N4O3
Exact Mass	450.131503 g/mol

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SpectraBase Spectrum ID	yvTGp9xO6G
Name	methyl 3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]propanoate
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/C21H18F4N4O3/c1-13-12-17(29(28-13)14-8-4-3-5-9-14)26-20(19(31)32-2,21(23,24)25)27-18(30)15-10-6-7-11-16(15)22/h3-12,26H,1-2H3,(H,27,30)
InChIKey	FHZRICVWRLYMFX-UHFFFAOYSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_472
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: C27188; Labnumber: SOK-1123; SBI_ID: SBI-000474
Temperature	308 °C