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5(4H)-oxazolone, 4-[[6-methyl-2-(phenylthio)-3-quinolinyl]methylene]-2-(3,4,5-trimethoxyphenyl)-, (4E)-
SpectraBase Compound ID 1PhkyCYMBrg
InChI InChI=1S/C29H24N2O5S/c1-17-10-11-22-18(12-17)13-20(28(31-22)37-21-8-6-5-7-9-21)14-23-29(32)36-27(30-23)19-15-24(33-2)26(35-4)25(16-19)34-3/h5-16H,1-4H3/b23-14+
InChIKey APTUKVHXNHCJQW-OEAKJJBVSA-N
Mol Weight 512.58 g/mol
Molecular Formula C29H24N2O5S
Exact Mass 512.140593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID gWGMAVmLWp
Name 5(4H)-oxazolone, 4-[[6-methyl-2-(phenylthio)-3-quinolinyl]methylene]-2-(3,4,5-trimethoxyphenyl)-, (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 512.140593050 u
Formula C29H24N2O5S
InChI InChI=1S/C29H24N2O5S/c1-17-10-11-22-18(12-17)13-20(28(31-22)37-21-8-6-5-7-9-21)14-23-29(32)36-27(30-23)19-15-24(33-2)26(35-4)25(16-19)34-3/h5-16H,1-4H3/b23-14+
InChIKey APTUKVHXNHCJQW-OEAKJJBVSA-N
Molecular Weight 512.580 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2455
Solvent DMSO-d6
Source Vendor ID: NMR/13268805