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3-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID KPbfKIQrD0D
InChI InChI=1S/C23H19Cl2N3OS/c1-2-29-18-13-11-17(12-14-18)28-22(16-7-4-3-5-8-16)26-27-23(28)30-15-19-20(24)9-6-10-21(19)25/h3-14H,2,15H2,1H3
InChIKey LUGVGUXWANVBKF-UHFFFAOYSA-N
Mol Weight 456.39 g/mol
Molecular Formula C23H19Cl2N3OS
Exact Mass 455.062589 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ez6jbLb74Pn
Name 3-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-5-phenyl-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/C23H19Cl2N3OS/c1-2-29-18-13-11-17(12-14-18)28-22(16-7-4-3-5-8-16)26-27-23(28)30-15-19-20(24)9-6-10-21(19)25/h3-14H,2,15H2,1H3
InChIKey LUGVGUXWANVBKF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14275
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: D98052; Labnumber: GRES-14943; SBI_ID: SBI-014278
Synonyms 4-{3-[(2,6-dichlorobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazol-4-yl}phenyl ethyl ether
Temperature 308 °C