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2-[(3S,3aS,6S,7R,7aS)-2-keto-3,6-dimethyl-6-vinyl-3,3a,4,5,7,7a-hexahydrobenzofuran-7-yl]acrylic acid methyl ester
SpectraBase Compound ID CtZcfRHjpkn
InChI InChI=1S/C16H22O4/c1-6-16(4)8-7-11-9(2)15(18)20-13(11)12(16)10(3)14(17)19-5/h6,9,11-13H,1,3,7-8H2,2,4-5H3/t9-,11-,12+,13-,16+/m0/s1
InChIKey LMSLMNGHQGVWPW-SXBWXJKFSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3w9uwg0n3W
Name 2-[(3S,3aS,6S,7R,7aS)-2-keto-3,6-dimethyl-6-vinyl-3,3a,4,5,7,7a-hexahydrobenzofuran-7-yl]acrylic acid methyl ester
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-6-16(4)8-7-11-9(2)15(18)20-13(11)12(16)10(3)14(17)19-5/h6,9,11-13H,1,3,7-8H2,2,4-5H3/t9-,11-,12+,13-,16+/m0/s1
InChIKey LMSLMNGHQGVWPW-SXBWXJKFSA-N
Literature Reference Author A.F.BARRERO,J.E.OLTRA,M.ALVAREZ,A.ROSALES
Literature Reference Citation J.ORG.CHEM.,67,5461(2002)
Literature Reference DOI 10.1021/jo0256538
Molecular Weight 278.348 g/mol
Solvent CDCl3
Source File Reference UWSI21867