1-Benzyl-5-methylsulfanyl-3-nitro-1H-[1,2,4]triazole

SpectraBase Compound ID	EXzMiftRRKb
InChI	InChI=1S/C10H10N4O2S/c1-17-10-11-9(14(15)16)12-13(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey	UPKGGHMVZOXJTC-UHFFFAOYSA-N Google Search
Mol Weight	250.28 g/mol
Molecular Formula	C10H10N4O2S
Exact Mass	250.052447 g/mol

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SpectraBase Spectrum ID	7ZvkF2DN3oZ
Name	1H-1,2,4-triazole, 5-(methylthio)-3-nitro-1-(phenylmethyl)-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	250.052446750 u
Formula	C10H10N4O2S
InChI	InChI=1S/C10H10N4O2S/c1-17-10-11-9(14(15)16)12-13(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey	UPKGGHMVZOXJTC-UHFFFAOYSA-N
Molecular Weight	250.276 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_12129
Solvent	DMSO-d6
Source	Vendor ID: NMR/10271970; Lab Info: LP; Lab Number: LP-3103255