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Ethyl (8E,12Z)-10-nitrooctadeca-8,12-dienoate

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Ethyl (8E,12Z)-10-nitrooctadeca-8,12-dienoate
SpectraBase Compound ID Fg00tCF0UJN
InChI InChI=1S/C20H35NO4/c1-3-5-6-7-10-13-16-19(21(23)24)17-14-11-8-9-12-15-18-20(22)25-4-2/h10,13-14,17,19H,3-9,11-12,15-16,18H2,1-2H3/b13-10-,17-14+
InChIKey JNDBAXORLJEXJJ-ICMDQPEBSA-N
Mol Weight 353.5 g/mol
Molecular Formula C20H35NO4
Exact Mass 353.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KgqZKSKYxEF
Name Ethyl (8E,12Z)-10-nitrooctadeca-8,12-dienoate
Comments Computed using HOSE algorithm
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Exact Mass 353.256608607 u
Formula C20H35NO4
InChI InChI=1S/C20H35NO4/c1-3-5-6-7-10-13-16-19(21(23)24)17-14-11-8-9-12-15-18-20(22)25-4-2/h10,13-14,17,19H,3-9,11-12,15-16,18H2,1-2H3/b13-10-,17-14+
InChIKey JNDBAXORLJEXJJ-ICMDQPEBSA-N
Molecular Weight 353.503 g/mol
SMILES C(N(=O)=O)(\C=C\CCCCCCC(=O)OCC)C\C=C/CCCCC