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(3S*,3AR*)-N-(7-CYANO-2-OXO-3-PHENYL-2,3,3A,4,5,6-HEXAHYDROBENZOFURAN-3-YL)-BENZAMIDE
SpectraBase Compound ID 5kUPsm0VGJ3
InChI InChI=1S/C22H18N2O3/c23-14-16-10-7-13-18-19(16)27-21(26)22(18,17-11-5-2-6-12-17)24-20(25)15-8-3-1-4-9-15/h1-6,8-9,11-12,18H,7,10,13H2,(H,24,25)/t18-,22+/m0/s1
InChIKey VSCBKROVOMZULC-PGRDOPGGSA-N
Mol Weight 358.4 g/mol
Molecular Formula C22H18N2O3
Exact Mass 358.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNnlT7babgN
Name (3S*,3AR*)-N-(7-CYANO-2-OXO-3-PHENYL-2,3,3A,4,5,6-HEXAHYDROBENZOFURAN-3-YL)-BENZAMIDE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H18N2O3
InChI InChI=1S/C22H18N2O3/c23-14-16-10-7-13-18-19(16)27-21(26)22(18,17-11-5-2-6-12-17)24-20(25)15-8-3-1-4-9-15/h1-6,8-9,11-12,18H,7,10,13H2,(H,24,25)/t18-,22+/m0/s1
InChIKey VSCBKROVOMZULC-PGRDOPGGSA-N
Literature Reference Author R.CANNELLA,F.CLERICI,M.L.GELMI,M.PENSO,D.POCAR
Literature Reference Citation J.ORG.CHEM.,61,1854(1996)
Literature Reference DOI 10.1021/jo951213n
Molecular Weight 358.397 g/mol
Solvent CDCl3
Source File Reference UWCS21558