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

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4H-1,2,4-triazole-3-thiol, 5-(2,4-difluorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-
SpectraBase Compound ID 7XvmXWQaMjz
InChI InChI=1S/C16H11F2N3O2S/c17-9-1-3-11(12(18)7-9)15-19-20-16(24)21(15)10-2-4-13-14(8-10)23-6-5-22-13/h1-4,7-8H,5-6H2,(H,20,24)
InChIKey QYLDSOPIVQREKL-UHFFFAOYSA-N
Mol Weight 347.34 g/mol
Molecular Formula C16H11F2N3O2S
Exact Mass 347.054004 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EvBaMZPRbm3
Name 4H-1,2,4-triazole-3-thiol, 5-(2,4-difluorophenyl)-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/C16H11F2N3O2S/c17-9-1-3-11(12(18)7-9)15-19-20-16(24)21(15)10-2-4-13-14(8-10)23-6-5-22-13/h1-4,7-8H,5-6H2,(H,20,24)
InChIKey QYLDSOPIVQREKL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7030
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: F29200; Labnumber: NNOBK-8090