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3-({2,5-dimethyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]benzyl}sulfanyl)-4H-1,2,4-triazole
SpectraBase Compound ID 5tZwGgtf8aZ
InChI InChI=1S/C14H16N6S2/c1-9-3-12(6-22-14-16-8-18-20-14)10(2)4-11(9)5-21-13-15-7-17-19-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,17,19)(H,16,18,20)
InChIKey MUGPEJVPHDJUAF-UHFFFAOYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C14H16N6S2
Exact Mass 332.087787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GNQZRfuZPyr
Name 3-({2,5-dimethyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]benzyl}sulfanyl)-4H-1,2,4-triazole
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/C14H16N6S2/c1-9-3-12(6-22-14-16-8-18-20-14)10(2)4-11(9)5-21-13-15-7-17-19-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,17,19)(H,16,18,20)
InChIKey MUGPEJVPHDJUAF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1611
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: 700822RRAZ-446; Labnumber: 700822RRAZ-446; VK_ID: VK-001612
Temperature 313 °C