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(9Z,12Z)-2,3-Dimethoxypropyl octadeca-9,12-dienoate
SpectraBase Compound ID 4xmxUmT04Q4
InChI InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)27-21-22(26-3)20-25-2/h8-9,11-12,22H,4-7,10,13-21H2,1-3H3/b9-8-,12-11-
InChIKey HVNUDBVUNSXBEN-MURFETPASA-N
Mol Weight 382.6 g/mol
Molecular Formula C23H42O4
Exact Mass 382.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID k5grEXGTdy
Name (9Z,12Z)-2,3-Dimethoxypropyl octadeca-9,12-dienoate
Comments Computed using HOSE algorithm
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Exact Mass 382.308309828 u
Formula C23H42O4
InChI InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)27-21-22(26-3)20-25-2/h8-9,11-12,22H,4-7,10,13-21H2,1-3H3/b9-8-,12-11-
InChIKey HVNUDBVUNSXBEN-MURFETPASA-N
Molecular Weight 382.585 g/mol
SMILES C(CCCCCCC\C=C/C\C=C/CCCCC)(=O)OCC(COC)OC