3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole

SpectraBase Compound ID	DGvXgCMYYvi
InChI	InChI=1S/C10H9ClFN3S/c1-15-6-13-14-10(15)16-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3
InChIKey	DDTBRRVAEYHCCR-UHFFFAOYSA-N Google Search
Mol Weight	257.71 g/mol
Molecular Formula	C10H9ClFN3S
Exact Mass	257.018974 g/mol

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SpectraBase Spectrum ID	HdP2mfYMaZx
Name	3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
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/C10H9ClFN3S/c1-15-6-13-14-10(15)16-5-7-8(11)3-2-4-9(7)12/h2-4,6H,5H2,1H3
InChIKey	DDTBRRVAEYHCCR-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_2447
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/9234390; Labnumber: SAD-0000250