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5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl 2,6-dichlorobenzyl sulfide

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5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl 2,6-dichlorobenzyl sulfide
SpectraBase Compound ID IvgQZD5SyA4
InChI InChI=1S/C25H23Cl2N3S/c1-25(2,3)18-14-12-17(13-15-18)23-28-29-24(30(23)19-8-5-4-6-9-19)31-16-20-21(26)10-7-11-22(20)27/h4-15H,16H2,1-3H3
InChIKey VGJRVGNWOYPXQS-UHFFFAOYSA-N
Mol Weight 468.45 g/mol
Molecular Formula C25H23Cl2N3S
Exact Mass 467.098974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LU9PQKf9wPF
Name 5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl 2,6-dichlorobenzyl 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/C25H23Cl2N3S/c1-25(2,3)18-14-12-17(13-15-18)23-28-29-24(30(23)19-8-5-4-6-9-19)31-16-20-21(26)10-7-11-22(20)27/h4-15H,16H2,1-3H3
InChIKey VGJRVGNWOYPXQS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4882
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: E08307; Labnumber: GRES-36903; SBI_ID: SBI-004884
Synonyms 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Temperature 318 °C