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5(4H)-oxazolone, 4-[[2-[(4-chlorophenyl)thio]-7-methyl-3-quinolinyl]methylene]-2-(3,4-dimethoxyphenyl)-, (4E)-
SpectraBase Compound ID 7IfYx02Bpta
InChI InChI=1S/C28H21ClN2O4S/c1-16-4-5-17-13-19(27(31-22(17)12-16)36-21-9-7-20(29)8-10-21)14-23-28(32)35-26(30-23)18-6-11-24(33-2)25(15-18)34-3/h4-15H,1-3H3/b23-14+
InChIKey INALQWOQKDBLCR-OEAKJJBVSA-N
Mol Weight 517.0 g/mol
Molecular Formula C28H21ClN2O4S
Exact Mass 516.091056 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7wvXBzenn3e
Name 5(4H)-oxazolone, 4-[[2-[(4-chlorophenyl)thio]-7-methyl-3-quinolinyl]methylene]-2-(3,4-dimethoxyphenyl)-, (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 516.091056034 u
Formula C28H21ClN2O4S
InChI InChI=1S/C28H21ClN2O4S/c1-16-4-5-17-13-19(27(31-22(17)12-16)36-21-9-7-20(29)8-10-21)14-23-28(32)35-26(30-23)18-6-11-24(33-2)25(15-18)34-3/h4-15H,1-3H3/b23-14+
InChIKey INALQWOQKDBLCR-OEAKJJBVSA-N
Molecular Weight 516.999 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2462
Solvent DMSO-d6
Source Vendor ID: NMR/13268814