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N-(4-methylphenyl)-2-[(3-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)sulfanyl]acetamide
SpectraBase Compound ID CjZMTPYNG7R
InChI InChI=1S/C21H20N6O2S3/c1-13-3-7-15(8-4-13)22-17(28)11-30-19-24-25-20-27(19)26-21(32-20)31-12-18(29)23-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,29)
InChIKey JJIVIIUINLSPMP-UHFFFAOYSA-N
Mol Weight 484.61 g/mol
Molecular Formula C21H20N6O2S3
Exact Mass 484.080987 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KyMJUBx3RFq
Name N-(4-methylphenyl)-2-[(3-{[2-oxo-2-(4-toluidino)ethyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-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/C21H20N6O2S3/c1-13-3-7-15(8-4-13)22-17(28)11-30-19-24-25-20-27(19)26-21(32-20)31-12-18(29)23-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,29)
InChIKey JJIVIIUINLSPMP-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4488
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/9211152; Labnumber: L-42,Shepelev; IOH_ID: IOH-004489
Temperature 297 °C