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

View entire compound with spectra: 1 NMR

5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl 2,6-dichlorobenzyl sulfide
SpectraBase Compound ID QmcSUxJJT6
InChI InChI=1S/C20H21Cl2N3S/c1-20(2,3)14-10-8-13(9-11-14)18-23-24-19(25(18)4)26-12-15-16(21)6-5-7-17(15)22/h5-11H,12H2,1-4H3
InChIKey GCNASDGHDDHXNA-UHFFFAOYSA-N
Mol Weight 406.38 g/mol
Molecular Formula C20H21Cl2N3S
Exact Mass 405.083324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A6mOhgTJKPv
Name 5-(4-tert-butylphenyl)-4-methyl-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/C20H21Cl2N3S/c1-20(2,3)14-10-8-13(9-11-14)18-23-24-19(25(18)4)26-12-15-16(21)6-5-7-17(15)22/h5-11H,12H2,1-4H3
InChIKey GCNASDGHDDHXNA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4520
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: D99091; Labnumber: GRES-31361; SBI_ID: SBI-004522
Synonyms 3-(4-tert-butylphenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Temperature 315 °C