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Methyl 8,9-epoxyeicosan-5(Z),11(Z),14(Z)-trienoate

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Methyl 8,9-epoxyeicosan-5(Z),11(Z),14(Z)-trienoate
SpectraBase Compound ID B1UKzegSfP0
InChI InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-13-16-19-20(24-19)17-14-11-12-15-18-21(22)23-2/h7-8,10-11,13-14,19-20H,3-6,9,12,15-18H2,1-2H3/b8-7-,13-10-,14-11-
InChIKey XAOMBLXPIQCTNG-LKRWDBQESA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mklMi4F0pY
Name Z,Z,Z-8,9-Epoxyeicosa-5,11,14-trienoic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.250794952 u
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-13-16-19-20(24-19)17-14-11-12-15-18-21(22)23-2/h7-8,10-11,13-14,19-20H,3-6,9,12,15-18H2,1-2H3/b8-7-,13-10-,14-11-
InChIKey XAOMBLXPIQCTNG-LKRWDBQESA-N
Molecular Weight 334.500 g/mol
SMILES C(C1OC1C\C=C/CCCC(OC)=O)\C=C/C\C=C/CCCCC