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4-(4-methoxyphenyl)-3-[(4-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
SpectraBase Compound ID 9B3IDvmgKsp
InChI InChI=1S/C25H25N3O2S/c1-18-4-8-20(9-5-18)17-31-25-27-26-24(16-30-23-12-6-19(2)7-13-23)28(25)21-10-14-22(29-3)15-11-21/h4-15H,16-17H2,1-3H3
InChIKey VHFCUOAQNNKNPA-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 5DoCoGcUKD
Name 4-(4-methoxyphenyl)-3-[(4-methylbenzyl)sulfanyl]-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/C25H25N3O2S/c1-18-4-8-20(9-5-18)17-31-25-27-26-24(16-30-23-12-6-19(2)7-13-23)28(25)21-10-14-22(29-3)15-11-21/h4-15H,16-17H2,1-3H3
InChIKey VHFCUOAQNNKNPA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4857
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: E08252; Labnumber: GRES-36838; SBI_ID: SBI-004859
Temperature 315 °C