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5(4H)-oxazolone, 4-[[2-[(4-chlorophenyl)thio]-8-methyl-3-quinolinyl]methylene]-2-(3,4,5-trimethoxyphenyl)-, (4E)-
SpectraBase Compound ID 5seF8uv9THR
InChI InChI=1S/C29H23ClN2O5S/c1-16-6-5-7-17-12-19(28(32-25(16)17)38-21-10-8-20(30)9-11-21)13-22-29(33)37-27(31-22)18-14-23(34-2)26(36-4)24(15-18)35-3/h5-15H,1-4H3/b22-13+
InChIKey YOGAOEBOEWLLRV-LPYMAVHISA-N
Mol Weight 547.03 g/mol
Molecular Formula C29H23ClN2O5S
Exact Mass 546.101621 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EtdTNS67T4g
Name 5(4H)-oxazolone, 4-[[2-[(4-chlorophenyl)thio]-8-methyl-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 546.101620718 u
Formula C29H23ClN2O5S
InChI InChI=1S/C29H23ClN2O5S/c1-16-6-5-7-17-12-19(28(32-25(16)17)38-21-10-8-20(30)9-11-21)13-22-29(33)37-27(31-22)18-14-23(34-2)26(36-4)24(15-18)35-3/h5-15H,1-4H3/b22-13+
InChIKey YOGAOEBOEWLLRV-LPYMAVHISA-N
Molecular Weight 547.025 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2452
Solvent DMSO-d6
Source Vendor ID: NMR/13268802