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

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-
SpectraBase Compound ID Ai0BpSOwnmQ
InChI InChI=1S/C17H15N3O4S/c1-21-12-5-3-10(7-14(12)22-2)16-18-19-17(25)20(16)11-4-6-13-15(8-11)24-9-23-13/h3-8H,9H2,1-2H3,(H,19,25)
InChIKey IECATIPDEVRGFW-UHFFFAOYSA-N
Mol Weight 357.38 g/mol
Molecular Formula C17H15N3O4S
Exact Mass 357.078327 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6yRR2oIxaMR
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-
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/C17H15N3O4S/c1-21-12-5-3-10(7-14(12)22-2)16-18-19-17(25)20(16)11-4-6-13-15(8-11)24-9-23-13/h3-8H,9H2,1-2H3,(H,19,25)
InChIKey IECATIPDEVRGFW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4571
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/17241534; Labnumber: 21p6211