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

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5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 3,4-dichlorobenzyl sulfide
SpectraBase Compound ID cH9kgfryHQ
InChI InChI=1S/C26H25Cl2N3S/c1-17-5-12-21(13-6-17)31-24(19-8-10-20(11-9-19)26(2,3)4)29-30-25(31)32-16-18-7-14-22(27)23(28)15-18/h5-15H,16H2,1-4H3
InChIKey ZBRYYYWJBQCIIJ-UHFFFAOYSA-N
Mol Weight 482.47 g/mol
Molecular Formula C26H25Cl2N3S
Exact Mass 481.114624 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JXERzxTrqZT
Name 5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl 3,4-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/C26H25Cl2N3S/c1-17-5-12-21(13-6-17)31-24(19-8-10-20(11-9-19)26(2,3)4)29-30-25(31)32-16-18-7-14-22(27)23(28)15-18/h5-15H,16H2,1-4H3
InChIKey ZBRYYYWJBQCIIJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4863
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: E08261; Labnumber: GRES-36848; SBI_ID: SBI-004865
Synonyms 3-(4-tert-butylphenyl)-5-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole
Temperature 315 °C