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

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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(5-chloro-2-methoxyphenyl)-
SpectraBase Compound ID Dby1xbzp4qh
InChI InChI=1S/C17H14ClN3O3S/c1-22-13-5-3-11(18)7-12(13)16-19-20-17(25)21(16)8-10-2-4-14-15(6-10)24-9-23-14/h2-7H,8-9H2,1H3,(H,20,25)
InChIKey KOUXWESSBGETCC-UHFFFAOYSA-N
Mol Weight 375.83 g/mol
Molecular Formula C17H14ClN3O3S
Exact Mass 375.04444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CyJEZIVhPzr
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-ylmethyl)-5-(5-chloro-2-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/C17H14ClN3O3S/c1-22-13-5-3-11(18)7-12(13)16-19-20-17(25)21(16)8-10-2-4-14-15(6-10)24-9-23-14/h2-7H,8-9H2,1H3,(H,20,25)
InChIKey KOUXWESSBGETCC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6031
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: F26757; Labnumber: NNOBK-9348