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

View entire compound with spectra: 1 NMR

5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl 3,4-dichlorobenzyl sulfide
SpectraBase Compound ID AhA9I0IWitt
InChI InChI=1S/C21H23Cl2N3S/c1-5-26-19(15-7-9-16(10-8-15)21(2,3)4)24-25-20(26)27-13-14-6-11-17(22)18(23)12-14/h6-12H,5,13H2,1-4H3
InChIKey MPOPXWYZYXQOMG-UHFFFAOYSA-N
Mol Weight 420.4 g/mol
Molecular Formula C21H23Cl2N3S
Exact Mass 419.098974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DGO1kEyDszs
Name 5-(4-tert-butylphenyl)-4-ethyl-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/C21H23Cl2N3S/c1-5-26-19(15-7-9-16(10-8-15)21(2,3)4)24-25-20(26)27-13-14-6-11-17(22)18(23)12-14/h6-12H,5,13H2,1-4H3
InChIKey MPOPXWYZYXQOMG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4894
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: E08325; Labnumber: GRES-36924; SBI_ID: SBI-004896
Synonyms 3-(4-tert-butylphenyl)-5-[(3,4-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazole
Temperature 318 °C