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3-[(2,4-dichlorobenzyl)sulfanyl]-4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID t4X1DxfU73
InChI InChI=1S/C18H17Cl2N3OS/c1-3-23-17(12-5-4-6-15(9-12)24-2)21-22-18(23)25-11-13-7-8-14(19)10-16(13)20/h4-10H,3,11H2,1-2H3
InChIKey XWDQQBCBWAZVHC-UHFFFAOYSA-N
Mol Weight 394.32 g/mol
Molecular Formula C18H17Cl2N3OS
Exact Mass 393.046939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4jtKPNi7jIX
Name 3-[(2,4-dichlorobenzyl)sulfanyl]-4-ethyl-5-(3-methoxyphenyl)-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/C18H17Cl2N3OS/c1-3-23-17(12-5-4-6-15(9-12)24-2)21-22-18(23)25-11-13-7-8-14(19)10-16(13)20/h4-10H,3,11H2,1-2H3
InChIKey XWDQQBCBWAZVHC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4884
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: E08310; Labnumber: GRES-36906; SBI_ID: SBI-004886
Synonyms 3-{5-[(2,4-dichlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}phenyl methyl ether
Temperature 318 °C