3-(2-Bromo-benzylsulfanyl)-5-trifluoromethyl-[1,2,4]triazol-4-ylamine

SpectraBase Compound ID	IXcEfljZx26
InChI	InChI=1S/C10H8BrF3N4S/c11-7-4-2-1-3-6(7)5-19-9-17-16-8(18(9)15)10(12,13)14/h1-4H,5,15H2
InChIKey	DALXFJNRSRUEAY-UHFFFAOYSA-N Google Search
Mol Weight	353.16 g/mol
Molecular Formula	C10H8BrF3N4S
Exact Mass	351.960515 g/mol

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SpectraBase Spectrum ID	7BseL77zpbV
Name	4H-1,2,4-triazol-4-amine, 3-[[(2-bromophenyl)methyl]thio]-5-(trifluoromethyl)-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	351.960514937 u
Formula	C10H8BrF3N4S
InChI	InChI=1S/C10H8BrF3N4S/c11-7-4-2-1-3-6(7)5-19-9-17-16-8(18(9)15)10(12,13)14/h1-4H,5,15H2
InChIKey	DALXFJNRSRUEAY-UHFFFAOYSA-N
Molecular Weight	353.161 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_18100
Solvent	DMSO-d6
Source	Vendor ID: NMR/11270909; Lab Info: LP; Lab Number: LP-2111063