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N-(4-methylphenyl)-2-({4-(3-methylphenyl)-5-[(4-(3-methylphenyl)-5-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID FrTniCny29Q
InChI InChI=1S/C37H36N8O2S2/c1-24-11-15-28(16-12-24)38-34(46)22-48-36-42-40-32(44(36)30-9-5-7-26(3)19-30)21-33-41-43-37(45(33)31-10-6-8-27(4)20-31)49-23-35(47)39-29-17-13-25(2)14-18-29/h5-20H,21-23H2,1-4H3,(H,38,46)(H,39,47)
InChIKey GJKFITSNCAITFI-UHFFFAOYSA-N
Mol Weight 688.9 g/mol
Molecular Formula C37H36N8O2S2
Exact Mass 688.240265 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5oTyvedBPFq
Name N-(4-methylphenyl)-2-({4-(3-methylphenyl)-5-[(4-(3-methylphenyl)-5-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
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/C37H36N8O2S2/c1-24-11-15-28(16-12-24)38-34(46)22-48-36-42-40-32(44(36)30-9-5-7-26(3)19-30)21-33-41-43-37(45(33)31-10-6-8-27(4)20-31)49-23-35(47)39-29-17-13-25(2)14-18-29/h5-20H,21-23H2,1-4H3,(H,38,46)(H,39,47)
InChIKey GJKFITSNCAITFI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9775
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: 128501; Labnumber: EX00112091; VK_ID: VK-009779
Temperature 315 °C