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

SpectraBase Compound ID	1ZpHaoEzUn9
InChI	InChI=1S/C19H18F3N3O3S/c1-4-13-11(2)29-16(14(13)10-23)25-18(17(27)28-3,19(20,21)22)24-15(26)12-8-6-5-7-9-12/h5-9,25H,4H2,1-3H3,(H,24,26)
InChIKey	DFLZCSBCCIPDCP-UHFFFAOYSA-N Google Search
Mol Weight	425.43 g/mol
Molecular Formula	C19H18F3N3O3S
Exact Mass	425.102097 g/mol

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SpectraBase Spectrum ID	LnTQwQMDngP
Name	alanine, N-benzoyl-2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-, 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	425.102097112 u
Formula	C19H18F3N3O3S
InChI	InChI=1S/C19H18F3N3O3S/c1-4-13-11(2)29-16(14(13)10-23)25-18(17(27)28-3,19(20,21)22)24-15(26)12-8-6-5-7-9-12/h5-9,25H,4H2,1-3H3,(H,24,26)
InChIKey	DFLZCSBCCIPDCP-UHFFFAOYSA-N
Molecular Weight	425.426 g/mol
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_5337
Solvent	DMSO-d6
Source	Vendor ID: NMR/9302510; Lab Info: AU; Lab Number: AU-EC00928