N-tert-Butyl-2-[1-(3-chloro-4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide

SpectraBase Compound ID	B9m91kdT0A6
InChI	InChI=1S/C13H15ClFN5OS/c1-13(2,3)16-11(21)7-22-12-17-18-19-20(12)8-4-5-10(15)9(14)6-8/h4-6H,7H2,1-3H3,(H,16,21)
InChIKey	RZMZRCGDPAQDEI-UHFFFAOYSA-N Google Search
Mol Weight	343.81 g/mol
Molecular Formula	C13H15ClFN5OS
Exact Mass	343.066987 g/mol

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SpectraBase Spectrum ID	5EeJ6n3wSmj
Name	N-(tert-butyl)-2-{[1-(3-chloro-4-fluorophenyl)-1H-tetraazol-5-yl]sulfanyl}acetamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C13H15ClFN5OS/c1-13(2,3)16-11(21)7-22-12-17-18-19-20(12)8-4-5-10(15)9(14)6-8/h4-6H,7H2,1-3H3,(H,16,21)
InChIKey	RZMZRCGDPAQDEI-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6125
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/11242355; Labnumber: SAD-0003007; IOH_ID: IOH-006126