John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5vY2fqIrbJc SpectraBase Spectrum ID=1iEvgVn1IRU

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PUBESCENONE
SpectraBase Compound ID 5vY2fqIrbJc
InChI InChI=1S/C19H26O3/c1-6-18(4)10-12-7-8-17(2,3)16-13(9-15(21)22-16)19(12,5)11-14(18)20/h6,9,12,16H,1,7-8,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1
InChIKey XGSHVHUXGRNZTJ-GJGHSUIPSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iEvgVn1IRU
Name PUBESCENONE
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-6-18(4)10-12-7-8-17(2,3)16-13(9-15(21)22-16)19(12,5)11-14(18)20/h6,9,12,16H,1,7-8,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1
InChIKey XGSHVHUXGRNZTJ-GJGHSUIPSA-N
Literature Reference Author M.H.GRACE,Y.JIN,G.R.WILSON,R.M.COATES
Literature Reference Citation PHYTOCHEM.,67,1708(2006)
Literature Reference DOI 10.1016/j.phytochem.2005.09.026
Molecular Weight 302.414 g/mol
Sample ID 67081
Solvent CDCl3
SpectraBase Batch ID 31vnP0ECSio