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3H-1,2,4-triazole-3-thione, 5-(2-chlorophenyl)-2,4-dihydro-4-methyl-2-[(4-phenyl-1-piperidinyl)methyl]-
SpectraBase Compound ID DLA110kTNAd
InChI InChI=1S/C21H23ClN4S/c1-24-20(18-9-5-6-10-19(18)22)23-26(21(24)27)15-25-13-11-17(12-14-25)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKey UCLKDBJXHKISJN-UHFFFAOYSA-N
Mol Weight 398.96 g/mol
Molecular Formula C21H23ClN4S
Exact Mass 398.133196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D21Gw99DgQf
Name 3H-1,2,4-triazole-3-thione, 5-(2-chlorophenyl)-2,4-dihydro-4-methyl-2-[(4-phenyl-1-piperidinyl)methyl]-
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/C21H23ClN4S/c1-24-20(18-9-5-6-10-19(18)22)23-26(21(24)27)15-25-13-11-17(12-14-25)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3
InChIKey UCLKDBJXHKISJN-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1474
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/9290163; Labnumber: LP-2191152
Temperature 297 °C