2-{[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide

SpectraBase Compound ID	CqQLGvRVTe
InChI	InChI=1S/C30H34N4O4S/c1-20-8-7-9-22(16-20)34-27(18-38-23-12-10-21(11-13-23)30(2,3)4)32-33-29(34)39-19-28(35)31-25-17-24(36-5)14-15-26(25)37-6/h7-17H,18-19H2,1-6H3,(H,31,35)
InChIKey	RENGLIKTOQNGKS-UHFFFAOYSA-N Google Search
Mol Weight	546.7 g/mol
Molecular Formula	C30H34N4O4S
Exact Mass	546.230077 g/mol

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SpectraBase Spectrum ID	5pIug0VyU6i
Name	2-{[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)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/C30H34N4O4S/c1-20-8-7-9-22(16-20)34-27(18-38-23-12-10-21(11-13-23)30(2,3)4)32-33-29(34)39-19-28(35)31-25-17-24(36-5)14-15-26(25)37-6/h7-17H,18-19H2,1-6H3,(H,31,35)
InChIKey	RENGLIKTOQNGKS-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5464
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/11221612; Labnumber: 0554; IOH_ID: IOH-005465