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5(4H)-oxazolone, 4-[[2-[(4-chlorophenyl)thio]-3-quinolinyl]methylene]-2-[4-(1,1-dimethylethyl)phenyl]-, (4E)-
SpectraBase Compound ID 8loGqCxtQvy
InChI InChI=1S/C29H23ClN2O2S/c1-29(2,3)21-10-8-18(9-11-21)26-31-25(28(33)34-26)17-20-16-19-6-4-5-7-24(19)32-27(20)35-23-14-12-22(30)13-15-23/h4-17H,1-3H3/b25-17+
InChIKey JXGBWRCZEPNGQQ-KOEQRZSOSA-N
Mol Weight 499.03 g/mol
Molecular Formula C29H23ClN2O2S
Exact Mass 498.116877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID RYHhjGY082
Name 5(4H)-oxazolone, 4-[[2-[(4-chlorophenyl)thio]-3-quinolinyl]methylene]-2-[4-(1,1-dimethylethyl)phenyl]-, (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 498.116876861 u
Formula C29H23ClN2O2S
InChI InChI=1S/C29H23ClN2O2S/c1-29(2,3)21-10-8-18(9-11-21)26-31-25(28(33)34-26)17-20-16-19-6-4-5-7-24(19)32-27(20)35-23-14-12-22(30)13-15-23/h4-17H,1-3H3/b25-17+
InChIKey JXGBWRCZEPNGQQ-KOEQRZSOSA-N
Molecular Weight 499.028 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2438
Solvent DMSO-d6
Source Vendor ID: NMR/13268788