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N-[3-(acetylamino)phenyl]-2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID DnNEuagPLaB
InChI InChI=1S/C22H24N6O2S/c1-3-12-28-20(14-23-17-8-5-4-6-9-17)26-27-22(28)31-15-21(30)25-19-11-7-10-18(13-19)24-16(2)29/h3-11,13,23H,1,12,14-15H2,2H3,(H,24,29)(H,25,30)
InChIKey JSTKNZQLKSKCAD-UHFFFAOYSA-N
Mol Weight 436.53 g/mol
Molecular Formula C22H24N6O2S
Exact Mass 436.168145 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eaow7JMdLTI
Name N-[3-(acetylamino)phenyl]-2-{[4-allyl-5-(anilinomethyl)-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/C22H24N6O2S/c1-3-12-28-20(14-23-17-8-5-4-6-9-17)26-27-22(28)31-15-21(30)25-19-11-7-10-18(13-19)24-16(2)29/h3-11,13,23H,1,12,14-15H2,2H3,(H,24,29)(H,25,30)
InChIKey JSTKNZQLKSKCAD-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4619
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: UZI/8121225; UBI_ID: UBI-004620
Temperature 313 °C