2-Benzamido-3,3,3-trifluoro-2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]propanoic acid methyl ester

SpectraBase Compound ID	E89Pq0FRr6U
InChI	InChI=1S/C21H19F3N4O3/c1-14-13-17(28(27-14)16-11-7-4-8-12-16)25-20(19(30)31-2,21(22,23)24)26-18(29)15-9-5-3-6-10-15/h3-13,25H,1-2H3,(H,26,29)
InChIKey	RTAITQCOZNULGK-UHFFFAOYSA-N Google Search
Mol Weight	432.4 g/mol
Molecular Formula	C21H19F3N4O3
Exact Mass	432.140925 g/mol

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SpectraBase Spectrum ID	taz2jvfFfZ
Name	methyl 2-(benzoylamino)-3,3,3-trifluoro-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/C21H19F3N4O3/c1-14-13-17(28(27-14)16-11-7-4-8-12-16)25-20(19(30)31-2,21(22,23)24)26-18(29)15-9-5-3-6-10-15/h3-13,25H,1-2H3,(H,26,29)
InChIKey	RTAITQCOZNULGK-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25504
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: D49913; Labnumber: SOK-1660; SBI_ID: SBI-025508
Temperature	315 °C