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3-[(3-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
SpectraBase Compound ID EZlG7U3Ejqb
InChI InChI=1S/C25H25N3O3S/c1-18-7-11-22(12-8-18)31-16-24-26-27-25(28(24)20-9-13-21(29-2)14-10-20)32-17-19-5-4-6-23(15-19)30-3/h4-15H,16-17H2,1-3H3
InChIKey NHCCDSRTZGJRAS-UHFFFAOYSA-N
Mol Weight 447.55 g/mol
Molecular Formula C25H25N3O3S
Exact Mass 447.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 70QWDNxO3Ir
Name 3-[(3-methoxybenzyl)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/C25H25N3O3S/c1-18-7-11-22(12-8-18)31-16-24-26-27-25(28(24)20-9-13-21(29-2)14-10-20)32-17-19-5-4-6-23(15-19)30-3/h4-15H,16-17H2,1-3H3
InChIKey NHCCDSRTZGJRAS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11237
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: E06521; Labnumber: GRES-24027; SBI_ID: SBI-011240
Temperature 315 °C