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5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide

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5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
SpectraBase Compound ID EL6Rn9KHdgF
InChI InChI=1S/C26H26N4O2S/c1-18-5-13-22(14-6-18)29-24(20-9-11-21(12-10-20)26(2,3)4)27-28-25(29)33-17-19-7-15-23(16-8-19)30(31)32/h5-16H,17H2,1-4H3
InChIKey KATHIVWZPYYPRW-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C26H26N4O2S
Exact Mass 458.177647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DHlJa4qjHVR
Name 5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
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/C26H26N4O2S/c1-18-5-13-22(14-6-18)29-24(20-9-11-21(12-10-20)26(2,3)4)27-28-25(29)33-17-19-7-15-23(16-8-19)30(31)32/h5-16H,17H2,1-4H3
InChIKey KATHIVWZPYYPRW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14579
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: D98725; Labnumber: GRES-25520; SBI_ID: SBI-014582
Synonyms 3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Temperature 318 °C