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3,4-bis(4-chlorophenyl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole

View entire compound with spectra: 1 NMR

3,4-bis(4-chlorophenyl)-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole
SpectraBase Compound ID 7u7le2EK6Vi
InChI InChI=1S/C22H17Cl2N3OS/c1-28-20-4-2-3-15(13-20)14-29-22-26-25-21(16-5-7-17(23)8-6-16)27(22)19-11-9-18(24)10-12-19/h2-13H,14H2,1H3
InChIKey OUPZXVAWVCFUCG-UHFFFAOYSA-N
Mol Weight 442.36 g/mol
Molecular Formula C22H17Cl2N3OS
Exact Mass 441.046939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BtrTDEMbrtG
Name 3,4-bis(4-chlorophenyl)-5-[(3-methoxybenzyl)sulfanyl]-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/C22H17Cl2N3OS/c1-28-20-4-2-3-15(13-20)14-29-22-26-25-21(16-5-7-17(23)8-6-16)27(22)19-11-9-18(24)10-12-19/h2-13H,14H2,1H3
InChIKey OUPZXVAWVCFUCG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4107
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: D98574; Labnumber: GRES-22928; SBI_ID: SBI-004109
Synonyms 3-({[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl methyl ether
Temperature 318 °C