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3-[(3,4-dimethylphenoxy)methyl]-5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole

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3-[(3,4-dimethylphenoxy)methyl]-5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID KLWfqSei3TB
InChI InChI=1S/C25H25N3O2S/c1-18-9-12-23(15-19(18)2)30-16-24-26-27-25(28(24)21-7-5-4-6-8-21)31-17-20-10-13-22(29-3)14-11-20/h4-15H,16-17H2,1-3H3
InChIKey JOINTTHDTAORAQ-UHFFFAOYSA-N
Mol Weight 431.55 g/mol
Molecular Formula C25H25N3O2S
Exact Mass 431.166748 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3S5USbwUI5p
Name 3-[(3,4-dimethylphenoxy)methyl]-5-[(4-methoxybenzyl)sulfanyl]-4-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/C25H25N3O2S/c1-18-9-12-23(15-19(18)2)30-16-24-26-27-25(28(24)21-7-5-4-6-8-21)31-17-20-10-13-22(29-3)14-11-20/h4-15H,16-17H2,1-3H3
InChIKey JOINTTHDTAORAQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3925
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: NMR/8275247; Labnumber: LP-2180724; IOH_ID: IOH-003926
Temperature 303 °C