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N-benzyl-5-(2-chloro-8-methyl-3-quinolinyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
SpectraBase Compound ID JopQWDSAWjy
InChI InChI=1S/C28H25ClN4S/c1-18-11-13-21(14-12-18)24-16-25(23-15-22-10-6-7-19(2)26(22)31-27(23)29)33(32-24)28(34)30-17-20-8-4-3-5-9-20/h3-15,25H,16-17H2,1-2H3,(H,30,34)
InChIKey XYGHUKXCCZLUIL-UHFFFAOYSA-N
Mol Weight 485.05 g/mol
Molecular Formula C28H25ClN4S
Exact Mass 484.148846 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JzzObSWwQr4
Name N-benzyl-5-(2-chloro-8-methyl-3-quinolinyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
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/C28H25ClN4S/c1-18-11-13-21(14-12-18)24-16-25(23-15-22-10-6-7-19(2)26(22)31-27(23)29)33(32-24)28(34)30-17-20-8-4-3-5-9-20/h3-15,25H,16-17H2,1-2H3,(H,30,34)
InChIKey XYGHUKXCCZLUIL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6455
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: 123664; Labnumber: EX00124888; VK_ID: VK-006458
Temperature 315 °C