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acetamide, 2-[(3-amino-1H-1,2,4-triazol-5-yl)thio]-N-[3-cyano-4-methyl-5-[2-(methylthio)ethyl]-1H-pyrrol-2-yl]-
SpectraBase Compound ID 6DQCFyi4O8L
InChI InChI=1S/C13H17N7OS2/c1-7-8(5-14)11(16-9(7)3-4-22-2)17-10(21)6-23-13-18-12(15)19-20-13/h16H,3-4,6H2,1-2H3,(H,17,21)(H3,15,18,19,20)
InChIKey WUEMMWQRMMOCJS-UHFFFAOYSA-N
Mol Weight 351.45 g/mol
Molecular Formula C13H17N7OS2
Exact Mass 351.093601 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6EphjY9YPHH
Name acetamide, 2-[(3-amino-1H-1,2,4-triazol-5-yl)thio]-N-[3-cyano-4-methyl-5-[2-(methylthio)ethyl]-1H-pyrrol-2-yl]-
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/C13H17N7OS2/c1-7-8(5-14)11(16-9(7)3-4-22-2)17-10(21)6-23-13-18-12(15)19-20-13/h16H,3-4,6H2,1-2H3,(H,17,21)(H3,15,18,19,20)
InChIKey WUEMMWQRMMOCJS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4569
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/17241478; Labnumber: EJ-0002001