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6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone

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6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone
SpectraBase Compound ID 9833QAxaBrf
InChI InChI=1S/C13H9N5O3S/c19-11-4-2-8(14-15-11)12-16-17-13(22)18(12)7-1-3-9-10(5-7)21-6-20-9/h1-5H,6H2,(H,15,19)(H,17,22)
InChIKey NVLBJDLOOFVAIZ-UHFFFAOYSA-N
Mol Weight 315.31 g/mol
Molecular Formula C13H9N5O3S
Exact Mass 315.04261 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 532HHgEYbLE
Name 6-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-3(2H)-pyridazinone
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/C13H9N5O3S/c19-11-4-2-8(14-15-11)12-16-17-13(22)18(12)7-1-3-9-10(5-7)21-6-20-9/h1-5H,6H2,(H,15,19)(H,17,22)
InChIKey NVLBJDLOOFVAIZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35205
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: E85073; SBI_ID: SBI-035209
Temperature 298 °C