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2-ACETYL-(1-ALPHA,6-ALPHA,2-BETA,5-BETA)-12-OXATRICYCLO-[4.4.1.1(2,5)]-DODEC-3-EN-11-ONE
SpectraBase Compound ID AACb48D2pMz
InChI InChI=1S/C13H16O3/c1-8(14)13-7-6-11(16-13)9-4-2-3-5-10(13)12(9)15/h6-7,9-11H,2-5H2,1H3/t9-,10-,11-,13-/m0/s1
InChIKey LPQFPKWZFUTGHY-ZPFDUUQYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DoNQasNsglX
Name 2-ACETYL-(1-ALPHA,6-ALPHA,2-BETA,5-BETA)-12-OXATRICYCLO-[4.4.1.1(2,5)]-DODEC-3-EN-11-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-8(14)13-7-6-11(16-13)9-4-2-3-5-10(13)12(9)15/h6-7,9-11H,2-5H2,1H3/t9-,10-,11-,13-/m0/s1
InChIKey LPQFPKWZFUTGHY-ZPFDUUQYSA-N
Literature Reference Author L.C.A.BARBOSA,C.R.A.MALTHA,R.C.CUSATI,R.R.TEIXEIRA,F.F.RODRI GUES,A.A.SILVA,M.G.B
Literature Reference Citation J.AGR.FOOD.CHEM.,57,10107(2009)
Literature Reference DOI 10.1021/jf902540z
Molecular Weight 220.268 g/mol
Sample ID 68208
Solvent CDCl3