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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(4-pyridinyl)-
SpectraBase Compound ID 1j4iFT6sh1z
InChI InChI=1S/C15H12N4O2S/c22-15-18-17-14(11-3-5-16-6-4-11)19(15)8-10-1-2-12-13(7-10)21-9-20-12/h1-7H,8-9H2,(H,18,22)
InChIKey QDEAYNAYWWOBQI-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 HTkQLOVgFGu
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(4-pyridinyl)-
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(11-3-5-16-6-4-11)19(15)8-10-1-2-12-13(7-10)21-9-20-12/h1-7H,8-9H2,(H,18,22)
InChIKey QDEAYNAYWWOBQI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6035
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: F26761; Labnumber: NNOBK-9352