2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dibromo-4-methylphenyl)acetamide

SpectraBase Compound ID	3Nzra6K06uT
InChI	InChI=1S/C22H22Br2N4O2S/c1-4-9-28-19(12-30-16-7-5-14(2)6-8-16)26-27-22(28)31-13-20(29)25-21-17(23)10-15(3)11-18(21)24/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,25,29)
InChIKey	FTXHHYBIBMRZFG-UHFFFAOYSA-N Google Search
Mol Weight	566.31 g/mol
Molecular Formula	C22H22Br2N4O2S
Exact Mass	563.983023 g/mol

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SpectraBase Spectrum ID	GlNctIZYw5G
Name	2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dibromo-4-methylphenyl)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/C22H22Br2N4O2S/c1-4-9-28-19(12-30-16-7-5-14(2)6-8-16)26-27-22(28)31-13-20(29)25-21-17(23)10-15(3)11-18(21)24/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,25,29)
InChIKey	FTXHHYBIBMRZFG-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11496
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: E06406; Labnumber: GRES-22056; SBI_ID: SBI-011499
Temperature	308 °C