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4H-1,2,4-triazole-3-thiol, 5-(3-pyridinyl)-4-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
SpectraBase Compound ID 1cXtyauA03Z
InChI InChI=1S/C16H13N7S/c24-16-21-20-15(13-2-1-7-17-8-13)23(16)14-5-3-12(4-6-14)9-22-11-18-10-19-22/h1-8,10-11H,9H2,(H,21,24)
InChIKey DNMZXJDPQLKMMC-UHFFFAOYSA-N
Mol Weight 335.39 g/mol
Molecular Formula C16H13N7S
Exact Mass 335.095315 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gy3CiCDnmiw
Name 4H-1,2,4-triazole-3-thiol, 5-(3-pyridinyl)-4-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-
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/C16H13N7S/c24-16-21-20-15(13-2-1-7-17-8-13)23(16)14-5-3-12(4-6-14)9-22-11-18-10-19-22/h1-8,10-11H,9H2,(H,21,24)
InChIKey DNMZXJDPQLKMMC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6607
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/18277057; Labnumber: OBK-8482