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

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4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID J3B6mbC5JWW
InChI InChI=1S/C15H12N4O2S/c22-15-18-17-14(10-3-5-16-6-4-10)19(15)11-1-2-12-13(9-11)21-8-7-20-12/h1-6,9H,7-8H2,(H,18,22)
InChIKey UOTKNTJZPGWBDD-UHFFFAOYSA-N
Mol Weight 312.35 g/mol
Molecular Formula C15H12N4O2S
Exact Mass 312.068097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJp8mSbG7Z0
Name 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridinyl)-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/C15H12N4O2S/c22-15-18-17-14(10-3-5-16-6-4-10)19(15)11-1-2-12-13(9-11)21-8-7-20-12/h1-6,9H,7-8H2,(H,18,22)
InChIKey UOTKNTJZPGWBDD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24522
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: D47586; Labnumber: NCOBK-0523; SBI_ID: SBI-024526
Synonyms 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C