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Heneicosa-2,9,16-triene-1,8,15-triolide

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Heneicosa-2,9,16-triene-1,8,15-triolide
SpectraBase Compound ID KaThqLintmX
InChI InChI=1S/C21H30O6/c22-19-13-7-3-1-2-4-10-16-25-20(23)14-8-5-12-18-27-21(24)15-9-6-11-17-26-19/h7-9,13-15H,1-6,10-12,16-18H2/b13-7+,14-8+,15-9+
InChIKey NBWMRQIUMQXNTK-ZOWBABNGSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfRM6ewWyME
Name Heneicosa-2,9,16-triene-1,8,15-triolide
Comments Computed using HOSE algorithm
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Exact Mass 378.204238680 u
Formula C21H30O6
InChI InChI=1S/C21H30O6/c22-19-13-7-3-1-2-4-10-16-25-20(23)14-8-5-12-18-27-21(24)15-9-6-11-17-26-19/h7-9,13-15H,1-6,10-12,16-18H2/b13-7+,14-8+,15-9+
InChIKey NBWMRQIUMQXNTK-ZOWBABNGSA-N
Molecular Weight 378.465 g/mol
SMILES C1(OCCCCCC\C=C\C(OCCC\C=C\C(OCCC\C=C\1)=O)=O)=O