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(Z)-9-Docosene-1,22-diol bis 3-(hydroxypropanoate) ester
SpectraBase Compound ID 63xkvNw5QQu
InChI InChI=1S/C28H52O6/c29-23-21-27(31)33-25-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-26-34-28(32)22-24-30/h3,5,29-30H,1-2,4,6-26H2/b5-3-
InChIKey FPJJOAXVTPKWGV-HYXAFXHYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C28H52O6
Exact Mass 484.376389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZg84kbl69P
Name (Z)-9-Docosene-1,22-diol bis 3-(hydroxypropanoate) ester
Comments Computed using HOSE algorithm
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Exact Mass 484.376389388 u
Formula C28H52O6
InChI InChI=1S/C28H52O6/c29-23-21-27(31)33-25-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-26-34-28(32)22-24-30/h3,5,29-30H,1-2,4,6-26H2/b5-3-
InChIKey FPJJOAXVTPKWGV-HYXAFXHYSA-N
Molecular Weight 484.718 g/mol
SMILES C(CCO)(=O)OCCCCCCCCCCCC\C=C/CCCCCCCCOC(CCO)=O