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3-[(3,4-dichlorobenzyl)sulfanyl]-4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
SpectraBase Compound ID KD9rt0cjumm
InChI InChI=1S/C22H19Cl2N3O2S/c1-15-4-7-17(8-5-15)29-13-21-25-26-22(27(21)12-18-3-2-10-28-18)30-14-16-6-9-19(23)20(24)11-16/h2-11H,12-14H2,1H3
InChIKey MCLRPCLBMLPSJK-UHFFFAOYSA-N
Mol Weight 460.38 g/mol
Molecular Formula C22H19Cl2N3O2S
Exact Mass 459.057503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FRciBupZQHD
Name 3-[(3,4-dichlorobenzyl)sulfanyl]-4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-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/C22H19Cl2N3O2S/c1-15-4-7-17(8-5-15)29-13-21-25-26-22(27(21)12-18-3-2-10-28-18)30-14-16-6-9-19(23)20(24)11-16/h2-11H,12-14H2,1H3
InChIKey MCLRPCLBMLPSJK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4866
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: E08273; Labnumber: GRES-36861; SBI_ID: SBI-004868
Synonyms [5-[(3,4-dichlorobenzyl)sulfanyl]-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]methyl 4-methylphenyl ether
Temperature 315 °C