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Cacalone

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Cacalone
SpectraBase Compound ID JjCjRWv7tU9
InChI InChI=1S/C15H18O3/c1-8-5-4-6-10-11(8)15(3,17)12-9(2)7-18-14(12)13(10)16/h7-8,17H,4-6H2,1-3H3/t8-,15+/m1/s1
InChIKey VNNQNPHIASWXBS-GLEZIHRCSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQXk7XD7FkQ
Name CACALONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-8-5-4-6-10-11(8)15(3,17)12-9(2)7-18-14(12)13(10)16/h7-8,17H,4-6H2,1-3H3/t8-,15+/m1/s1
InChIKey VNNQNPHIASWXBS-GLEZIHRCSA-N
Literature Reference Author W.D.INMAN,J.LUO,S.D.JOLAD,S.R.KING,R.COOPER
Literature Reference Citation J.NAT.PROD.,62,1088(1999)
Literature Reference DOI 10.1021/np990023v
Molecular Weight 246.306 g/mol
Solvent CDCl3