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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-thienylmethyl)-
SpectraBase Compound ID pS4TyhVD5k
InChI InChI=1S/C15H13N3O2S2/c21-15-17-16-14(7-11-2-1-5-22-11)18(15)8-10-3-4-12-13(6-10)20-9-19-12/h1-6H,7-9H2,(H,17,21)
InChIKey NENPOIHDKYIGIJ-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C15H13N3O2S2
Exact Mass 331.044919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GkX5coiWNb2
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-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/C15H13N3O2S2/c21-15-17-16-14(7-11-2-1-5-22-11)18(15)8-10-3-4-12-13(6-10)20-9-19-12/h1-6H,7-9H2,(H,17,21)
InChIKey NENPOIHDKYIGIJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6039
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: F26765; Labnumber: NNOBK-9356