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

SpectraBase Compound ID	5bPUCkLh4Nd
InChI	InChI=1S/C17H14Cl2F3N3O4/c1-28-12-6-4-3-5-10(12)14(26)25-16(15(27)29-2,17(20,21)22)24-13-11(19)7-9(18)8-23-13/h3-8H,1-2H3,(H,23,24)(H,25,26)
InChIKey	TZFPVBVMFWTTPX-UHFFFAOYSA-N Google Search
Mol Weight	452.22 g/mol
Molecular Formula	C17H14Cl2F3N3O4
Exact Mass	451.031346 g/mol

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SpectraBase Spectrum ID	Ck3SHIMopH0
Name	alanine, N-(3,5-dichloro-2-pyridinyl)-3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-, methyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	451.031345828 u
Formula	C17H14Cl2F3N3O4
InChI	InChI=1S/C17H14Cl2F3N3O4/c1-28-12-6-4-3-5-10(12)14(26)25-16(15(27)29-2,17(20,21)22)24-13-11(19)7-9(18)8-23-13/h3-8H,1-2H3,(H,23,24)(H,25,26)
InChIKey	TZFPVBVMFWTTPX-UHFFFAOYSA-N
Molecular Weight	452.217 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_15088
Solvent	DMSO-d6
Source	Vendor ID: NMR/10321908; Lab Info: AU; Lab Number: AU-CG00232