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4H-1,2,4-triazole-3-thiol, 5-(5-bromo-3-pyridinyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-

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4H-1,2,4-triazole-3-thiol, 5-(5-bromo-3-pyridinyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-
SpectraBase Compound ID HD81DJ0ae6k
InChI InChI=1S/C15H11BrN4O2S/c16-10-5-9(7-17-8-10)14-18-19-15(23)20(14)11-1-2-12-13(6-11)22-4-3-21-12/h1-2,5-8H,3-4H2,(H,19,23)
InChIKey NWNAIUYJIYDUGK-UHFFFAOYSA-N
Mol Weight 391.24 g/mol
Molecular Formula C15H11BrN4O2S
Exact Mass 389.97861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4lo051vpuYJ
Name 4H-1,2,4-triazole-3-thiol, 5-(5-bromo-3-pyridinyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-
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/C15H11BrN4O2S/c16-10-5-9(7-17-8-10)14-18-19-15(23)20(14)11-1-2-12-13(6-11)22-4-3-21-12/h1-2,5-8H,3-4H2,(H,19,23)
InChIKey NWNAIUYJIYDUGK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9802
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: F36330; Labnumber: NNOBK-9749