alanine, N-(chloroacetyl)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-, ethyl ester

SpectraBase Compound ID	DuSOSIYtf5l
InChI	InChI=1S/C15H17ClF3N3O3S/c1-4-9-8(3)26-12(10(9)7-20)22-14(15(17,18)19,13(24)25-5-2)21-11(23)6-16/h22H,4-6H2,1-3H3,(H,21,23)
InChIKey	JDBADFQVKPKISI-UHFFFAOYSA-N Google Search
Mol Weight	411.83 g/mol
Molecular Formula	C15H17ClF3N3O3S
Exact Mass	411.063125 g/mol

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SpectraBase Spectrum ID	IAcpSC59uDS
Name	alanine, N-(chloroacetyl)-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-, ethyl 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	411.063124779 u
Formula	C15H17ClF3N3O3S
InChI	InChI=1S/C15H17ClF3N3O3S/c1-4-9-8(3)26-12(10(9)7-20)22-14(15(17,18)19,13(24)25-5-2)21-11(23)6-16/h22H,4-6H2,1-3H3,(H,21,23)
InChIKey	JDBADFQVKPKISI-UHFFFAOYSA-N
Molecular Weight	411.827 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_12031
Solvent	DMSO-d6
Source	Vendor ID: NMR/10271809; Lab Info: AU; Lab Number: AU-EC01081