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

View entire compound with spectra: 1 NMR

3-(4-tert-butylphenyl)-4-methyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
SpectraBase Compound ID JBpR7UHJdrb
InChI InChI=1S/C21H25N3S/c1-15-8-6-7-9-17(15)14-25-20-23-22-19(24(20)5)16-10-12-18(13-11-16)21(2,3)4/h6-13H,14H2,1-5H3
InChIKey MGPOURXUKJJFNT-UHFFFAOYSA-N
Mol Weight 351.51 g/mol
Molecular Formula C21H25N3S
Exact Mass 351.176919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 540lXIhhdYF
Name 3-(4-tert-butylphenyl)-4-methyl-5-[(2-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/c1-15-8-6-7-9-17(15)14-25-20-23-22-19(24(20)5)16-10-12-18(13-11-16)21(2,3)4/h6-13H,14H2,1-5H3
InChIKey MGPOURXUKJJFNT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4054
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: D98482; Labnumber: GRES-21627; SBI_ID: SBI-004056
Synonyms 5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl 2-methylbenzyl sulfide
Temperature 308 °C