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5(4H)-oxazolone, 4-[[6-methyl-2-[(4-methylphenyl)thio]-3-quinolinyl]methylene]-2-(4-methylphenyl)-, (4E)-
SpectraBase Compound ID BDxhBfgaixW
InChI InChI=1S/C28H22N2O2S/c1-17-4-9-20(10-5-17)26-29-25(28(31)32-26)16-22-15-21-14-19(3)8-13-24(21)30-27(22)33-23-11-6-18(2)7-12-23/h4-16H,1-3H3/b25-16+
InChIKey HJKWBGSWYXDMCE-PCLIKHOPSA-N
Mol Weight 450.56 g/mol
Molecular Formula C28H22N2O2S
Exact Mass 450.140199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LbhsQTEgXYk
Name 5(4H)-oxazolone, 4-[[6-methyl-2-[(4-methylphenyl)thio]-3-quinolinyl]methylene]-2-(4-methylphenyl)-, (4E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.140199128 u
Formula C28H22N2O2S
InChI InChI=1S/C28H22N2O2S/c1-17-4-9-20(10-5-17)26-29-25(28(31)32-26)16-22-15-21-14-19(3)8-13-24(21)30-27(22)33-23-11-6-18(2)7-12-23/h4-16H,1-3H3/b25-16+
InChIKey HJKWBGSWYXDMCE-PCLIKHOPSA-N
Molecular Weight 450.556 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2424
Solvent DMSO-d6
Source Vendor ID: NMR/13268771