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N-BUTYL-2,3-DIHYDRO-2-(1'-METHYL-2'-PHENYLTHIOETHYL)-BENZOFURAN-6-CARBOXYLATE
SpectraBase Compound ID 2VqES3mKnka
InChI InChI=1S/C22H26O3S/c1-3-4-12-24-22(23)18-11-10-17-13-20(25-21(17)14-18)16(2)15-26-19-8-6-5-7-9-19/h5-11,14,16,20H,3-4,12-13,15H2,1-2H3
InChIKey LQRFYVSWVVNIAX-UHFFFAOYSA-N
Mol Weight 370.51 g/mol
Molecular Formula C22H26O3S
Exact Mass 370.160266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9WJ8Wl4TvFQ
Name N-BUTYL-2,3-DIHYDRO-2-(1'-METHYL-2'-PHENYLTHIOETHYL)-BENZOFURAN-6-CARBOXYLATE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O3S
InChI InChI=1S/C22H26O3S/c1-3-4-12-24-22(23)18-11-10-17-13-20(25-21(17)14-18)16(2)15-26-19-8-6-5-7-9-19/h5-11,14,16,20H,3-4,12-13,15H2,1-2H3
InChIKey LQRFYVSWVVNIAX-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 370.507 g/mol
Solvent CDCl3
Source File Reference UWRU5515