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3-{[5-(4-amino-1-methyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-7-chloro-4-phenyl-2-quinolinol
SpectraBase Compound ID LivpRjI4X8b
InChI InChI=1S/C23H20ClN7OS/c1-3-31-21(19-16(25)12-30(2)29-19)27-28-23(31)33-20-18(13-7-5-4-6-8-13)15-10-9-14(24)11-17(15)26-22(20)32/h4-12H,3,25H2,1-2H3,(H,26,32)
InChIKey LAMGOUGGHVSZOV-UHFFFAOYSA-N
Mol Weight 477.97 g/mol
Molecular Formula C23H20ClN7OS
Exact Mass 477.113857 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IpQVmatlzSX
Name 3-{[5-(4-amino-1-methyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-7-chloro-4-phenyl-2-quinolinol
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/C23H20ClN7OS/c1-3-31-21(19-16(25)12-30(2)29-19)27-28-23(31)33-20-18(13-7-5-4-6-8-13)15-10-9-14(24)11-17(15)26-22(20)32/h4-12H,3,25H2,1-2H3,(H,26,32)
InChIKey LAMGOUGGHVSZOV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18595
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: UZI/9125456; UBI_ID: UBI-018598
Temperature 308 °C