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4H-1,2,4-triazole-3-thiol, 5-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)-
SpectraBase Compound ID 77JAxxwENJI
InChI InChI=1S/C17H13N3O4S/c25-17-19-18-16(11-2-4-13-15(6-11)24-9-22-13)20(17)7-10-1-3-12-14(5-10)23-8-21-12/h1-6H,7-9H2,(H,19,25)
InChIKey FWPJHWXLNYGDRO-UHFFFAOYSA-N
Mol Weight 355.37 g/mol
Molecular Formula C17H13N3O4S
Exact Mass 355.062677 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hqy3bib4itn
Name 4H-1,2,4-triazole-3-thiol, 5-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)-
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/C17H13N3O4S/c25-17-19-18-16(11-2-4-13-15(6-11)24-9-22-13)20(17)7-10-1-3-12-14(5-10)23-8-21-12/h1-6H,7-9H2,(H,19,25)
InChIKey FWPJHWXLNYGDRO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6032
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: F26758; Labnumber: NNOBK-9349