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

SpectraBase Compound ID	CKlul3Bf1xm
InChI	InChI=1S/C18H18F3N3O4S/c1-27-12-7-5-11(6-8-12)14(25)23-17(15(26)28-2,18(19,20)21)24-16-22-13(9-29-16)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,22,24)(H,23,25)
InChIKey	HSGZMXFAHXCVHW-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	F1qBHvaH5i5
Name	alanine, N-(4-cyclopropyl-2-thiazolyl)-3,3,3-trifluoro-2-[(4-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/c1-27-12-7-5-11(6-8-12)14(25)23-17(15(26)28-2,18(19,20)21)24-16-22-13(9-29-16)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,22,24)(H,23,25)
InChIKey	HSGZMXFAHXCVHW-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_13005
Solvent	DMSO-d6
Source	Vendor ID: NMR/10260699; Lab Info: AU; Lab Number: AU-0000026