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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-

View entire compound with spectra: 1 NMR

4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-
SpectraBase Compound ID B9US3h1SAYM
InChI InChI=1S/C17H15N3O3S/c1-21-13-5-3-12(4-6-13)16-18-19-17(24)20(16)9-11-2-7-14-15(8-11)23-10-22-14/h2-8H,9-10H2,1H3,(H,19,24)
InChIKey QWQXCDNTDOPKDE-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 EyVf1FdDEaJ
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-
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/c1-21-13-5-3-12(4-6-13)16-18-19-17(24)20(16)9-11-2-7-14-15(8-11)23-10-22-14/h2-8H,9-10H2,1H3,(H,19,24)
InChIKey QWQXCDNTDOPKDE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_11579
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: F31589; Labnumber: SPYEL-7370