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4-allyl-3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID 1X0FyqkT8D8
InChI InChI=1S/C26H33N3S/c1-8-17-29-23(20-11-15-22(16-12-20)26(5,6)7)27-28-24(29)30-18-19-9-13-21(14-10-19)25(2,3)4/h8-16H,1,17-18H2,2-7H3
InChIKey DZDRZIXWNRDWLI-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C26H33N3S
Exact Mass 419.239519 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 59UZmwOHxkz
Name 4-allyl-3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-tert-butylphenyl)-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/C26H33N3S/c1-8-17-29-23(20-11-15-22(16-12-20)26(5,6)7)27-28-24(29)30-18-19-9-13-21(14-10-19)25(2,3)4/h8-16H,1,17-18H2,2-7H3
InChIKey DZDRZIXWNRDWLI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14312
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: D98169; Labnumber: GRES-16795; SBI_ID: SBI-014315
Synonyms 4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl 4-tert-butylbenzyl sulfide
Temperature 318 °C