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Isoepipolone
SpectraBase Compound ID 3jZiIlFjSln
InChI InChI=1S/C20H30O2/c1-12(2)14-8-9-20(5)17(22)11-19(4)10-16(21)13(3)6-7-15(19)18(14)20/h8,12,15-16,18,21H,3,6-7,9-11H2,1-2,4-5H3/t15-,16-,18-,19-,20+/m0/s1
InChIKey YBQUCTGYBPMQDP-CZKCSJLSSA-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 Dj7sN6JbR2x
Name ISOEPIPOLONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-12(2)14-8-9-20(5)17(22)11-19(4)10-16(21)13(3)6-7-15(19)18(14)20/h8,12,15-16,18,21H,3,6-7,9-11H2,1-2,4-5H3/t15-,16-,18-,19-,20+/m0/s1
InChIKey YBQUCTGYBPMQDP-CZKCSJLSSA-N
Literature Reference Author A.D.RODRIGUEZ,B.VERA
Literature Reference Citation J.ORG.CHEM.,66,6364(2001)
Literature Reference DOI 10.1021/jo0104734
Molecular Weight 302.457 g/mol
Solvent CDCl3
Source File Reference UWVN24718