3-quinolinecarboxylic acid, 4-[[4-(aminocarbonyl)phenyl]amino]-7-(trifluoromethyl)-, ethyl ester

SpectraBase Compound ID	A4oBT0CoUsl
InChI	InChI=1S/C20H16F3N3O3/c1-2-29-19(28)15-10-25-16-9-12(20(21,22)23)5-8-14(16)17(15)26-13-6-3-11(4-7-13)18(24)27/h3-10H,2H2,1H3,(H2,24,27)(H,25,26)
InChIKey	CCAUKIPEEGTNFW-UHFFFAOYSA-N Google Search
Mol Weight	403.36 g/mol
Molecular Formula	C20H16F3N3O3
Exact Mass	403.114376 g/mol

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SpectraBase Spectrum ID	J6jQsRHXMss
Name	3-quinolinecarboxylic acid, 4-[[4-(aminocarbonyl)phenyl]amino]-7-(trifluoromethyl)-, ethyl ester
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/C20H16F3N3O3/c1-2-29-19(28)15-10-25-16-9-12(20(21,22)23)5-8-14(16)17(15)26-13-6-3-11(4-7-13)18(24)27/h3-10H,2H2,1H3,(H2,24,27)(H,25,26)
InChIKey	CCAUKIPEEGTNFW-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_552
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: F04457; Labnumber: OVCHIN-00303