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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-[3-(4-methoxyphenyl)-5-methyl-4-isoxazolyl]-
SpectraBase Compound ID 1G5TxcaRuyK
InChI InChI=1S/C20H16N4O4S/c1-11-17(18(23-28-11)12-3-6-14(25-2)7-4-12)19-21-22-20(29)24(19)13-5-8-15-16(9-13)27-10-26-15/h3-9H,10H2,1-2H3,(H,22,29)
InChIKey VIVNUSLBEOJEMX-UHFFFAOYSA-N
Mol Weight 408.43 g/mol
Molecular Formula C20H16N4O4S
Exact Mass 408.089226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CtJzGX82Gbk
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-[3-(4-methoxyphenyl)-5-methyl-4-isoxazolyl]-
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/C20H16N4O4S/c1-11-17(18(23-28-11)12-3-6-14(25-2)7-4-12)19-21-22-20(29)24(19)13-5-8-15-16(9-13)27-10-26-15/h3-9H,10H2,1-2H3,(H,22,29)
InChIKey VIVNUSLBEOJEMX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4880
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: NMR/17317026; Labnumber: OBK-8128