Pentanoic acid, 5-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-5-oxo-, 2-(3,4-dimethylphenyl)-2-oxoethyl ester

SpectraBase Compound ID	5UQIrQCJaJG
InChI	InChI=1S/C22H21ClF3NO4/c1-13-6-7-15(10-14(13)2)19(28)12-31-21(30)5-3-4-20(29)27-18-11-16(22(24,25)26)8-9-17(18)23/h6-11H,3-5,12H2,1-2H3,(H,27,29)
InChIKey	WCVNRTQJWWKWTL-UHFFFAOYSA-N Google Search
Mol Weight	455.86 g/mol
Molecular Formula	C22H21ClF3NO4
Exact Mass	455.11112 g/mol

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SpectraBase Spectrum ID	A3yKeoo5vL7
Name	pentanoic acid, 5-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-5-oxo-, 2-(3,4-dimethylphenyl)-2-oxoethyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H21ClF3NO4/c1-13-6-7-15(10-14(13)2)19(28)12-31-21(30)5-3-4-20(29)27-18-11-16(22(24,25)26)8-9-17(18)23/h6-11H,3-5,12H2,1-2H3,(H,27,29)
InChIKey	WCVNRTQJWWKWTL-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_935
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: NMR/11258974