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5(4H)-oxazolone, 2-(4-methoxyphenyl)-4-[[2-[(4-methylphenyl)thio]-3-quinolinyl]methylene]-, (4E)-
SpectraBase Compound ID 8sKxWkO0nfF
InChI InChI=1S/C27H20N2O3S/c1-17-7-13-22(14-8-17)33-26-20(15-19-5-3-4-6-23(19)29-26)16-24-27(30)32-25(28-24)18-9-11-21(31-2)12-10-18/h3-16H,1-2H3/b24-16+
InChIKey OQVCLRLALBQRBM-LFVJCYFKSA-N
Mol Weight 452.53 g/mol
Molecular Formula C27H20N2O3S
Exact Mass 452.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BF2VzmG1nfQ
Name 5(4H)-oxazolone, 2-(4-methoxyphenyl)-4-[[2-[(4-methylphenyl)thio]-3-quinolinyl]methylene]-, (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 452.119463683 u
Formula C27H20N2O3S
InChI InChI=1S/C27H20N2O3S/c1-17-7-13-22(14-8-17)33-26-20(15-19-5-3-4-6-23(19)29-26)16-24-27(30)32-25(28-24)18-9-11-21(31-2)12-10-18/h3-16H,1-2H3/b24-16+
InChIKey OQVCLRLALBQRBM-LFVJCYFKSA-N
Molecular Weight 452.528 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2426
Solvent DMSO-d6
Source Vendor ID: NMR/13268775