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4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-5-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-
SpectraBase Compound ID APfzcgitDIk
InChI InChI=1S/C15H16ClN5S/c1-9(2)7-11-8-13(18-17-11)14-19-20-15(22)21(14)12-5-3-10(16)4-6-12/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,20,22)
InChIKey IOPDBURCVQSTOB-UHFFFAOYSA-N
Mol Weight 333.84 g/mol
Molecular Formula C15H16ClN5S
Exact Mass 333.081494 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KuqO0pVCjLP
Name 4H-1,2,4-triazole-3-thiol, 4-(4-chlorophenyl)-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/C15H16ClN5S/c1-9(2)7-11-8-13(18-17-11)14-19-20-15(22)21(14)12-5-3-10(16)4-6-12/h3-6,8-9H,7H2,1-2H3,(H,17,18)(H,20,22)
InChIKey IOPDBURCVQSTOB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5915
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/18247008; Labnumber: OBK-8359