alanine, N-(4-cyclopropyl-2-thiazolyl)-3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]-, methyl ester

SpectraBase Compound ID	2ICz9FaKOEV
InChI	InChI=1S/C18H18F3N3O4S/c1-27-13-6-4-3-5-11(13)14(25)23-17(15(26)28-2,18(19,20)21)24-16-22-12(9-29-16)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKey	ZUFDTQKOVNHSTE-UHFFFAOYSA-N Google Search
Mol Weight	429.41 g/mol
Molecular Formula	C18H18F3N3O4S
Exact Mass	429.097012 g/mol

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SpectraBase Spectrum ID	A98z5agbbbs
Name	alanine, N-(4-cyclopropyl-2-thiazolyl)-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	429.097011731 u
Formula	C18H18F3N3O4S
InChI	InChI=1S/C18H18F3N3O4S/c1-27-13-6-4-3-5-11(13)14(25)23-17(15(26)28-2,18(19,20)21)24-16-22-12(9-29-16)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKey	ZUFDTQKOVNHSTE-UHFFFAOYSA-N
Molecular Weight	429.414 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_12205
Solvent	DMSO-d6
Source	Vendor ID: NMR/10260700; Lab Info: AU; Lab Number: AU-0000027