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SPONGI-12-EN-16-ONE;ISOAGATHOLACTONE
SpectraBase Compound ID IX8ZWy26Hps
InChI InChI=1S/C20H30O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h6,14-16H,5,7-12H2,1-4H3/t14-,15+,16+,19+,20+/m1/s1
InChIKey DCFIJMVSAFTYKV-MWTROVGWSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pB3u5ZNkEw
Name SPONGI-12-EN-16-ONE;ISOAGATHOLACTONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h6,14-16H,5,7-12H2,1-4H3/t14-,15+,16+,19+,20+/m1/s1
InChIKey DCFIJMVSAFTYKV-MWTROVGWSA-N
Literature Reference Author A.ABAD,C.AGULLO,M.ARNO,M.L.MARIN,R.J.ZARAGOZA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2193(1996)
Literature Reference DOI 10.1039/p19960002193
Molecular Weight 302.457 g/mol
Solvent CDCl3
Source File Reference UWCS21578