alanine, N-(5-chloro-2-pyridinyl)-3,3,3-trifluoro-2-[(2-methylbenzoyl)amino]-, methyl ester

SpectraBase Compound ID	EssU9HaH33T
InChI	InChI=1S/C17H15ClF3N3O3/c1-10-5-3-4-6-12(10)14(25)24-16(15(26)27-2,17(19,20)21)23-13-8-7-11(18)9-22-13/h3-9H,1-2H3,(H,22,23)(H,24,25)
InChIKey	YPAWGAFZEVHSPK-UHFFFAOYSA-N Google Search
Mol Weight	401.77 g/mol
Molecular Formula	C17H15ClF3N3O3
Exact Mass	401.075404 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	91QERpqlQeS
Name	alanine, N-(5-chloro-2-pyridinyl)-3,3,3-trifluoro-2-[(2-methylbenzoyl)amino]-, methyl 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/C17H15ClF3N3O3/c1-10-5-3-4-6-12(10)14(25)24-16(15(26)27-2,17(19,20)21)23-13-8-7-11(18)9-22-13/h3-9H,1-2H3,(H,22,23)(H,24,25)
InChIKey	YPAWGAFZEVHSPK-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_13
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/10321958; Labnumber: AU-Z000659