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

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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-
SpectraBase Compound ID 2bkQVqt0X2q
InChI InChI=1S/C19H19N3O5S/c1-23-15-7-12(8-16(24-2)17(15)25-3)18-20-21-19(28)22(18)9-11-4-5-13-14(6-11)27-10-26-13/h4-8H,9-10H2,1-3H3,(H,21,28)
InChIKey JIXVUJMPXIYWAZ-UHFFFAOYSA-N
Mol Weight 401.44 g/mol
Molecular Formula C19H19N3O5S
Exact Mass 401.104542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlJQrJEV9Xk
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-
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/C19H19N3O5S/c1-23-15-7-12(8-16(24-2)17(15)25-3)18-20-21-19(28)22(18)9-11-4-5-13-14(6-11)27-10-26-13/h4-8H,9-10H2,1-3H3,(H,21,28)
InChIKey JIXVUJMPXIYWAZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6041
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: F26767; Labnumber: NNOBK-9359