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4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-
SpectraBase Compound ID 16htRzr89Kl
InChI InChI=1S/C16H17N5O2S/c1-9(2)5-10-6-12(18-17-10)15-19-20-16(24)21(15)11-3-4-13-14(7-11)23-8-22-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,17,18)(H,20,24)
InChIKey ZDGGAZMEXDQBQP-UHFFFAOYSA-N
Mol Weight 343.41 g/mol
Molecular Formula C16H17N5O2S
Exact Mass 343.110296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID PFfCy9P13u
Name 4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-
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/C16H17N5O2S/c1-9(2)5-10-6-12(18-17-10)15-19-20-16(24)21(15)11-3-4-13-14(7-11)23-8-22-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,17,18)(H,20,24)
InChIKey ZDGGAZMEXDQBQP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5914
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/18247007; Labnumber: OBK-8358