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2-[10'-XI-ACETOXYUNDECANYL]-1-ACETOXYMETHYL-4-QUINOLONE
SpectraBase Compound ID BQFOIIHlcoN
InChI InChI=1S/C25H35NO5/c1-19(31-21(3)28)13-9-7-5-4-6-8-10-14-22-17-25(29)23-15-11-12-16-24(23)26(22)18-30-20(2)27/h11-12,15-17,19H,4-10,13-14,18H2,1-3H3
InChIKey JPBCINJJQWGVGX-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C25H35NO5
Exact Mass 429.251523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5XNSFRBG6x
Name 2-[10'-XI-ACETOXYUNDECANYL]-1-ACETOXYMETHYL-4-QUINOLONE
Compound Number 12
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35NO5
InChI InChI=1S/C25H35NO5/c1-19(31-21(3)28)13-9-7-5-4-6-8-10-14-22-17-25(29)23-15-11-12-16-24(23)26(22)18-30-20(2)27/h11-12,15-17,19H,4-10,13-14,18H2,1-3H3
InChIKey JPBCINJJQWGVGX-UHFFFAOYSA-N
Literature Reference Author S.GIBBONS,L.CRAVEN,C.DUNLOP,A.I.GRAY,T.G.HARTLEY,P.G.WATERMA N
Literature Reference Citation PHYTOCHEM.,44,1109(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00708-X
Molecular Weight 429.557 g/mol
Solvent CDCl3
Source File Reference UWPA389