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3-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole

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3-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
SpectraBase Compound ID EtdztnwiIqU
InChI InChI=1S/C26H27N3O2S/c1-18-6-11-24(12-7-18)31-16-25-27-28-26(29(25)22-9-13-23(30-4)14-10-22)32-17-21-15-19(2)5-8-20(21)3/h5-15H,16-17H2,1-4H3
InChIKey PVPARKYCUOEEPJ-UHFFFAOYSA-N
Mol Weight 445.58 g/mol
Molecular Formula C26H27N3O2S
Exact Mass 445.182398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E2ViJA04e4H
Name 3-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-methoxyphenyl)-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/C26H27N3O2S/c1-18-6-11-24(12-7-18)31-16-25-27-28-26(29(25)22-9-13-23(30-4)14-10-22)32-17-21-15-19(2)5-8-20(21)3/h5-15H,16-17H2,1-4H3
InChIKey PVPARKYCUOEEPJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11330
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: E06637; Labnumber: GRES-26535; SBI_ID: SBI-011333
Temperature 308 °C