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

View entire compound with spectra: 1 NMR

3-(4-tert-butylphenyl)-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
SpectraBase Compound ID J761I6ZkVVB
InChI InChI=1S/C20H22N4O2S/c1-20(2,3)16-9-7-15(8-10-16)18-21-22-19(23(18)4)27-13-14-5-11-17(12-6-14)24(25)26/h5-12H,13H2,1-4H3
InChIKey ROXPVMFRJQAZTI-UHFFFAOYSA-N
Mol Weight 382.48 g/mol
Molecular Formula C20H22N4O2S
Exact Mass 382.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2HhrRIBpcCw
Name 3-(4-tert-butylphenyl)-4-methyl-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/C20H22N4O2S/c1-20(2,3)16-9-7-15(8-10-16)18-21-22-19(23(18)4)27-13-14-5-11-17(12-6-14)24(25)26/h5-12H,13H2,1-4H3
InChIKey ROXPVMFRJQAZTI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4099
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: D98562; Labnumber: GRES-22791; SBI_ID: SBI-004101
Synonyms 5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
Temperature 318 °C