4-allyl-3-(3-methoxyphenyl)-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazole

SpectraBase Compound ID	CY4udUgmz4X
InChI	InChI=1S/C20H21N3OS/c1-4-12-23-19(16-10-7-11-18(13-16)24-3)21-22-20(23)25-14-17-9-6-5-8-15(17)2/h4-11,13H,1,12,14H2,2-3H3
InChIKey	BEIMWDCLZLTVAV-UHFFFAOYSA-N Google Search
Mol Weight	351.47 g/mol
Molecular Formula	C20H21N3OS
Exact Mass	351.140533 g/mol

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SpectraBase Spectrum ID	CvT1mhdfs91
Name	4-allyl-3-(3-methoxyphenyl)-5-[(2-methylbenzyl)sulfanyl]-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/C20H21N3OS/c1-4-12-23-19(16-10-7-11-18(13-16)24-3)21-22-20(23)25-14-17-9-6-5-8-15(17)2/h4-11,13H,1,12,14H2,2-3H3
InChIKey	BEIMWDCLZLTVAV-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11516
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: E06438; Labnumber: GRES-22559; SBI_ID: SBI-011519
Synonyms	3-{4-allyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl methyl ether
Temperature	308 °C