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

SpectraBase Compound ID	2AvbGx2ggXZ
InChI	InChI=1S/C21H25N3S/c1-15-7-6-8-16(13-15)14-25-20-23-22-19(24(20)5)17-9-11-18(12-10-17)21(2,3)4/h6-13H,14H2,1-5H3
InChIKey	SYNWHMQXNFPFGS-UHFFFAOYSA-N Google Search
Mol Weight	351.51 g/mol
Molecular Formula	C21H25N3S
Exact Mass	351.176919 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	38ajjj0Awsq
Name	3-(4-tert-butylphenyl)-4-methyl-5-[(3-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/C21H25N3S/c1-15-7-6-8-16(13-15)14-25-20-23-22-19(24(20)5)17-9-11-18(12-10-17)21(2,3)4/h6-13H,14H2,1-5H3
InChIKey	SYNWHMQXNFPFGS-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14304
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: D98158; Labnumber: GRES-16606; SBI_ID: SBI-014307
Synonyms	5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl 3-methylbenzyl sulfide
Temperature	318 °C