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

SpectraBase Compound ID	IB8VEZZHvmJ
InChI	InChI=1S/C23H27N3S/c1-6-15-26-21(19-11-13-20(14-12-19)23(3,4)5)24-25-22(26)27-16-18-9-7-17(2)8-10-18/h6-14H,1,15-16H2,2-5H3
InChIKey	XZBFUJZJDSXGNF-UHFFFAOYSA-N Google Search
Mol Weight	377.55 g/mol
Molecular Formula	C23H27N3S
Exact Mass	377.192569 g/mol

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SpectraBase Spectrum ID	8tjsFbRdKS1
Name	4-allyl-3-(4-tert-butylphenyl)-5-[(4-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/C23H27N3S/c1-6-15-26-21(19-11-13-20(14-12-19)23(3,4)5)24-25-22(26)27-16-18-9-7-17(2)8-10-18/h6-14H,1,15-16H2,2-5H3
InChIKey	XZBFUJZJDSXGNF-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4959
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: E08425; Labnumber: GRES-37047; SBI_ID: SBI-004961
Synonyms	4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl 4-methylbenzyl sulfide
Temperature	308 °C