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3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-pyridinyl)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID 7REKHwcr4Zo
InChI InChI=1S/C15H13N7S/c16-22-14(10-4-3-7-17-8-10)20-21-15(22)23-9-13-18-11-5-1-2-6-12(11)19-13/h1-8H,9,16H2,(H,18,19)
InChIKey JKOIFUPMGANGRE-UHFFFAOYSA-N
Mol Weight 323.38 g/mol
Molecular Formula C15H13N7S
Exact Mass 323.095315 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HV72IXpU7lh
Name 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-pyridinyl)-4H-1,2,4-triazol-4-amine
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/C15H13N7S/c16-22-14(10-4-3-7-17-8-10)20-21-15(22)23-9-13-18-11-5-1-2-6-12(11)19-13/h1-8H,9,16H2,(H,18,19)
InChIKey JKOIFUPMGANGRE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4149
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: 120960; Labnumber: RRLE-0577; VK_ID: VK-004150
Synonyms 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-pyridinyl)-4H-1,2,4-triazol-4-ylamine
Temperature 308 °C