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(3S,4AR,5S,8R,8AS)-3-[(R)-2'-OCTYLOXY]-4A,5,8,8A-TETRAHYDRO-5,8-METHANO-1H-2-BENZOPYRAN-4(3H)-ONE;ALPHA-ENDO-ADDUCT
SpectraBase Compound ID 3VmKYWhYBLY
InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-12(2)21-18-17(19)16-14-9-8-13(10-14)15(16)11-20-18/h8-9,12-16,18H,3-7,10-11H2,1-2H3/t12-,13+,14+,15-,16+,18-/m0/s1
InChIKey KANKFKWNWOLPGI-PNGDXFRZSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNiCoK7FoTX
Name (3S,4AR,5S,8R,8AS)-3-[(R)-2'-OCTYLOXY]-4A,5,8,8A-TETRAHYDRO-5,8-METHANO-1H-2-BENZOPYRAN-4(3H)-ONE;ALPHA-ENDO-ADDUCT
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28O3
InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-12(2)21-18-17(19)16-14-9-8-13(10-14)15(16)11-20-18/h8-9,12-16,18H,3-7,10-11H2,1-2H3/t12-,13+,14+,15-,16+,18-/m0/s1
InChIKey KANKFKWNWOLPGI-PNGDXFRZSA-N
Literature Reference Author C.A.I.CAPACCIO,O.VARELA
Literature Reference Citation J.ORG.CHEM.,67,7839(2002)
Literature Reference DOI 10.1021/jo020309w
Molecular Weight 292.419 g/mol
Solvent CDCl3
Source File Reference UWSI22349