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4-(1,3-benzodioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol

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4-(1,3-benzodioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JSEtO2Duul8
InChI InChI=1S/C17H15N3O3S/c1-21-13-5-2-11(3-6-13)8-16-18-19-17(24)20(16)12-4-7-14-15(9-12)23-10-22-14/h2-7,9H,8,10H2,1H3,(H,19,24)
InChIKey WXMGIEHBWJKEMU-UHFFFAOYSA-N
Mol Weight 341.39 g/mol
Molecular Formula C17H15N3O3S
Exact Mass 341.083413 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EWwZzVujJFE
Name 4-(1,3-benzodioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol
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/C17H15N3O3S/c1-21-13-5-2-11(3-6-13)8-16-18-19-17(24)20(16)12-4-7-14-15(9-12)23-10-22-14/h2-7,9H,8,10H2,1H3,(H,19,24)
InChIKey WXMGIEHBWJKEMU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35206
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: E85074; SBI_ID: SBI-035210
Synonyms 4-(1,3-benzodioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 298 °C