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ethanone, 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-
SpectraBase Compound ID DsgX0oP9N3I
InChI InChI=1S/C25H21ClN4OS/c1-15-12-24-27-28-25(30(24)22-7-5-4-6-20(15)22)32-14-23(31)21-13-16(2)29(17(21)3)19-10-8-18(26)9-11-19/h4-13H,14H2,1-3H3
InChIKey LZUGBTZAAUIREO-UHFFFAOYSA-N
Mol Weight 460.98 g/mol
Molecular Formula C25H21ClN4OS
Exact Mass 460.11246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3sswtqHJ2P7
Name ethanone, 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-
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/C25H21ClN4OS/c1-15-12-24-27-28-25(30(24)22-7-5-4-6-20(15)22)32-14-23(31)21-13-16(2)29(17(21)3)19-10-8-18(26)9-11-19/h4-13H,14H2,1-3H3
InChIKey LZUGBTZAAUIREO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_689
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/11228355