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5-HYDROXY-4-(1-OXO-3-PHENYLPROPYL)-2,2,6,6-TETRAMETHYL-4-CYClOHEXENE-1,3-DIONE;GRANDIFLORONE
SpectraBase Compound ID IOEIkFR7OAt
InChI InChI=1S/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3
InChIKey KUWGTESSHWPSOB-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnpevHLj5UX
Name 5-HYDROXY-4-(1-OXO-3-PHENYLPROPYL)-2,2,6,6-TETRAMETHYL-4-CYClOHEXENE-1,3-DIONE;GRANDIFLORONE
CAS Registry Number 50861-53-5
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3
InChIKey KUWGTESSHWPSOB-UHFFFAOYSA-N
Literature Reference Author J.W.VANKLINK,J.J.BROPHY,N.B.PERRY,R.T.WEAVERS
Literature Reference Citation J.NAT.PROD.,62,487(1999)
Literature Reference DOI 10.1021/np980350n
Molecular Weight 314.381 g/mol
Solvent CDCl3
Source File Reference UWCP7970