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4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrazinyl)-4H-1,2,4-triazole-3-thiol

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4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrazinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID AIbGdLnctfp
InChI InChI=1S/C14H11N5O2S/c22-14-18-17-13(10-8-15-3-4-16-10)19(14)9-1-2-11-12(7-9)21-6-5-20-11/h1-4,7-8H,5-6H2,(H,18,22)
InChIKey NEFZOBKSKIBRRS-UHFFFAOYSA-N
Mol Weight 313.34 g/mol
Molecular Formula C14H11N5O2S
Exact Mass 313.063346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9oRCY5dFQGb
Name 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrazinyl)-4H-1,2,4-triazole-3-thiol
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/C14H11N5O2S/c22-14-18-17-13(10-8-15-3-4-16-10)19(14)9-1-2-11-12(7-9)21-6-5-20-11/h1-4,7-8H,5-6H2,(H,18,22)
InChIKey NEFZOBKSKIBRRS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24521
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: D47585; Labnumber: NCOBK-0522; SBI_ID: SBI-024525
Synonyms 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C