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

SpectraBase Compound ID	K17dxu7KFcp
InChI	InChI=1S/C22H24N4O2S/c1-5-14-25-20(17-8-10-18(11-9-17)22(2,3)4)23-24-21(25)29-15-16-6-12-19(13-7-16)26(27)28/h5-13H,1,14-15H2,2-4H3
InChIKey	VDKDOUFITXSQCL-UHFFFAOYSA-N Google Search
Mol Weight	408.52 g/mol
Molecular Formula	C22H24N4O2S
Exact Mass	408.161997 g/mol

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SpectraBase Spectrum ID	KuG1ujvvqJQ
Name	4-allyl-3-(4-tert-butylphenyl)-5-[(4-nitrobenzyl)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/C22H24N4O2S/c1-5-14-25-20(17-8-10-18(11-9-17)22(2,3)4)23-24-21(25)29-15-16-6-12-19(13-7-16)26(27)28/h5-13H,1,14-15H2,2-4H3
InChIKey	VDKDOUFITXSQCL-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14594
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: D98747; Labnumber: GRES-25805; SBI_ID: SBI-014597
Synonyms	4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
Temperature	318 °C