3-[(4-tert-butylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole

SpectraBase Compound ID	411a8QWkpOm
InChI	InChI=1S/C28H31N3O2S/c1-20-6-14-25(15-7-20)33-18-26-29-30-27(31(26)23-12-16-24(32-5)17-13-23)34-19-21-8-10-22(11-9-21)28(2,3)4/h6-17H,18-19H2,1-5H3
InChIKey	UHALFABRDKLUKH-UHFFFAOYSA-N Google Search
Mol Weight	473.64 g/mol
Molecular Formula	C28H31N3O2S
Exact Mass	473.213698 g/mol

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SpectraBase Spectrum ID	3cPGL2wZsDV
Name	3-[(4-tert-butylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)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/C28H31N3O2S/c1-20-6-14-25(15-7-20)33-18-26-29-30-27(31(26)23-12-16-24(32-5)17-13-23)34-19-21-8-10-22(11-9-21)28(2,3)4/h6-17H,18-19H2,1-5H3
InChIKey	UHALFABRDKLUKH-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11098
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: E05814; Labnumber: GRES-10806; SBI_ID: SBI-011101
Temperature	318 °C