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5(4H)-oxazolone, 4-[[2-[(4-chlorophenyl)thio]-8-methyl-3-quinolinyl]methylene]-2-[4-(1,1-dimethylethyl)phenyl]-, (4E)-
SpectraBase Compound ID KvoS21qK1C7
InChI InChI=1S/C30H25ClN2O2S/c1-18-6-5-7-20-16-21(28(33-26(18)20)36-24-14-12-23(31)13-15-24)17-25-29(34)35-27(32-25)19-8-10-22(11-9-19)30(2,3)4/h5-17H,1-4H3/b25-17+
InChIKey OTRCACYNRVUVPZ-KOEQRZSOSA-N
Mol Weight 513.06 g/mol
Molecular Formula C30H25ClN2O2S
Exact Mass 512.132527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H5rxlO7T70y
Name 5(4H)-oxazolone, 4-[[2-[(4-chlorophenyl)thio]-8-methyl-3-quinolinyl]methylene]-2-[4-(1,1-dimethylethyl)phenyl]-, (4E)-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.132526925 u
Formula C30H25ClN2O2S
InChI InChI=1S/C30H25ClN2O2S/c1-18-6-5-7-20-16-21(28(33-26(18)20)36-24-14-12-23(31)13-15-24)17-25-29(34)35-27(32-25)19-8-10-22(11-9-19)30(2,3)4/h5-17H,1-4H3/b25-17+
InChIKey OTRCACYNRVUVPZ-KOEQRZSOSA-N
Molecular Weight 513.055 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2441
Solvent DMSO-d6
Source Vendor ID: NMR/13268791