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[2,3-DIHYDRO-2-(1'-METHYL-2'-PHENYLTHIOETHYL)-BENZOFURAN-6-YL]-ETHANENITRILE
SpectraBase Compound ID JIaseQ8UvBl
InChI InChI=1S/C19H19NOS/c1-14(13-22-17-5-3-2-4-6-17)18-12-16-8-7-15(9-10-20)11-19(16)21-18/h2-8,11,14,18H,9,12-13H2,1H3
InChIKey XYWKQAQQCIQWPW-UHFFFAOYSA-N
Mol Weight 309.43 g/mol
Molecular Formula C19H19NOS
Exact Mass 309.118735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XIr4VYTg6a
Name [2,3-DIHYDRO-2-(1'-METHYL-2'-PHENYLTHIOETHYL)-BENZOFURAN-6-YL]-ETHANENITRILE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19NOS
InChI InChI=1S/C19H19NOS/c1-14(13-22-17-5-3-2-4-6-17)18-12-16-8-7-15(9-10-20)11-19(16)21-18/h2-8,11,14,18H,9,12-13H2,1H3
InChIKey XYWKQAQQCIQWPW-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 309.426 g/mol
Solvent CDCl3
Source File Reference UWRU5516