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2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-pyridinyl)acetamide
SpectraBase Compound ID FZLjMs7rSqP
InChI InChI=1S/C20H22N6OS/c1-3-12-26-18(13-22-16-9-7-15(2)8-10-16)24-25-20(26)28-14-19(27)23-17-6-4-5-11-21-17/h3-11,22H,1,12-14H2,2H3,(H,21,23,27)
InChIKey JLKMFBYYDRMUDW-UHFFFAOYSA-N
Mol Weight 394.5 g/mol
Molecular Formula C20H22N6OS
Exact Mass 394.157581 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AXHFHJVjOYX
Name 2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-pyridinyl)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/C20H22N6OS/c1-3-12-26-18(13-22-16-9-7-15(2)8-10-16)24-25-20(26)28-14-19(27)23-17-6-4-5-11-21-17/h3-11,22H,1,12-14H2,2H3,(H,21,23,27)
InChIKey JLKMFBYYDRMUDW-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4310
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/8117136; UBI_ID: UBI-004311
Temperature 308 °C