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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-thienyl)-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-thienyl)-
SpectraBase Compound ID BnPA5iwHHxr
InChI InChI=1S/C14H11N3O2S2/c20-14-16-15-13(12-2-1-5-21-12)17(14)7-9-3-4-10-11(6-9)19-8-18-10/h1-6H,7-8H2,(H,16,20)
InChIKey YTMCEUGQCJBBOS-UHFFFAOYSA-N
Mol Weight 317.38 g/mol
Molecular Formula C14H11N3O2S2
Exact Mass 317.029269 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EyoKjrq718S
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-thienyl)-
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/C14H11N3O2S2/c20-14-16-15-13(12-2-1-5-21-12)17(14)7-9-3-4-10-11(6-9)19-8-18-10/h1-6H,7-8H2,(H,16,20)
InChIKey YTMCEUGQCJBBOS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6034
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: F26760; Labnumber: NNOBK-9351