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2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]benzonitrile
SpectraBase Compound ID 6TJpmUmQ06G
InChI InChI=1S/C10H8N4S/c11-5-8-3-1-2-4-9(8)6-15-10-12-7-13-14-10/h1-4,7H,6H2,(H,12,13,14)
InChIKey GMRJGXUYTWUBAX-UHFFFAOYSA-N
Mol Weight 216.26 g/mol
Molecular Formula C10H8N4S
Exact Mass 216.046967 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ay10t8wEqFe
Name 2-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]benzonitrile
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/C10H8N4S/c11-5-8-3-1-2-4-9(8)6-15-10-12-7-13-14-10/h1-4,7H,6H2,(H,12,13,14)
InChIKey GMRJGXUYTWUBAX-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_613
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: ZI/8163451; Labnumber: NKS-0000109
Temperature 303 °C