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N-[2'',3''-DIHYDRO-2''-(1'''-METHYL-2'''-PHENYLTHIOETHYL)-BENZOFURAN-6''-YL]-ETHYL]-2-(3'''',4''''-DIMETHOXYPHENYL)-ETHANEAMIDE
SpectraBase Compound ID 5Dq8IpVpG1y
InChI InChI=1S/C29H33NO4S/c1-20(19-35-24-7-5-4-6-8-24)26-18-23-11-9-21(15-27(23)34-26)13-14-30-29(31)17-22-10-12-25(32-2)28(16-22)33-3/h4-12,15-16,20,26H,13-14,17-19H2,1-3H3,(H,30,31)
InChIKey ZCMWSMHUCRHVCL-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C29H33NO4S
Exact Mass 491.21303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cc21TbKh27b
Name N-[2'',3''-DIHYDRO-2''-(1'''-METHYL-2'''-PHENYLTHIOETHYL)-BENZOFURAN-6''-YL]-ETHYL]-2-(3'''',4''''-DIMETHOXYPHENYL)-ETHANEAMIDE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33NO4S
InChI InChI=1S/C29H33NO4S/c1-20(19-35-24-7-5-4-6-8-24)26-18-23-11-9-21(15-27(23)34-26)13-14-30-29(31)17-22-10-12-25(32-2)28(16-22)33-3/h4-12,15-16,20,26H,13-14,17-19H2,1-3H3,(H,30,31)
InChIKey ZCMWSMHUCRHVCL-UHFFFAOYSA-N
Literature Reference Author R.J.PILLING,D.A.WHITING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2077(1999)
Literature Reference DOI 10.1039/a903816g
Molecular Weight 491.645 g/mol
Solvent CDCl3
Source File Reference UWRU5518