alanine, N-acetyl-3,3,3-trifluoro-2-[(6-nitro-2-benzothiazolyl)amino]-, methyl ester

SpectraBase Compound ID	IZ5Y3FK9brV
InChI	InChI=1S/C13H11F3N4O5S/c1-6(21)18-12(10(22)25-2,13(14,15)16)19-11-17-8-4-3-7(20(23)24)5-9(8)26-11/h3-5H,1-2H3,(H,17,19)(H,18,21)
InChIKey	SNELLIBMYLTTDE-UHFFFAOYSA-N Google Search
Mol Weight	392.31 g/mol
Molecular Formula	C13H11F3N4O5S
Exact Mass	392.040225 g/mol

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SpectraBase Spectrum ID	5gD78dTiFnE
Name	alanine, N-acetyl-3,3,3-trifluoro-2-[(6-nitro-2-benzothiazolyl)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	392.040225128 u
Formula	C13H11F3N4O5S
InChI	InChI=1S/C13H11F3N4O5S/c1-6(21)18-12(10(22)25-2,13(14,15)16)19-11-17-8-4-3-7(20(23)24)5-9(8)26-11/h3-5H,1-2H3,(H,17,19)(H,18,21)
InChIKey	SNELLIBMYLTTDE-UHFFFAOYSA-N
Molecular Weight	392.309 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_15091
Solvent	DMSO-d6
Source	Vendor ID: NMR/10321919; Lab Info: AU; Lab Number: AU-EC01120