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4H-1,2,4-triazole-3-thiol, 4-(2,1,3-benzoxadiazol-4-yl)-5-(2-thienylmethyl)-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(2,1,3-benzoxadiazol-4-yl)-5-(2-thienylmethyl)-
SpectraBase Compound ID 2RXNPpM0162
InChI InChI=1S/C13H9N5OS2/c20-13-15-14-11(7-8-3-2-6-21-8)18(13)10-5-1-4-9-12(10)17-19-16-9/h1-6H,7H2,(H,15,20)
InChIKey FUKKBLLRBRGJEQ-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C13H9N5OS2
Exact Mass 315.024852 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kffn9UScc5W
Name 4H-1,2,4-triazole-3-thiol, 4-(2,1,3-benzoxadiazol-4-yl)-5-(2-thienylmethyl)-
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/C13H9N5OS2/c20-13-15-14-11(7-8-3-2-6-21-8)18(13)10-5-1-4-9-12(10)17-19-16-9/h1-6H,7H2,(H,15,20)
InChIKey FUKKBLLRBRGJEQ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7036
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: F29208; Labnumber: NNOBK-9611