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cis-Carbonated methyl oleate
SpectraBase Compound ID 8UPrm6xLUz
InChI InChI=1S/C20H36O5/c1-3-4-5-6-8-11-14-17-18(25-20(22)24-17)15-12-9-7-10-13-16-19(21)23-2/h17-18H,3-16H2,1-2H3/t17-,18+/m0/s1
InChIKey CTEULNFUAIAEJE-ZWKOTPCHSA-N
Mol Weight 356.5 g/mol
Molecular Formula C20H36O5
Exact Mass 356.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMXUeZzOHXV
Name cis-Carbonated methyl oleate
Alternate Name(s) Methyl 8-((4R,5S)-5-octyl-2-oxo-1,3-dioxolan-4-yl)octanoate
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Formula C20H36O5
InChI InChI=1S/C20H36O5/c1-3-4-5-6-8-11-14-17-18(25-20(22)24-17)15-12-9-7-10-13-16-19(21)23-2/h17-18H,3-16H2,1-2H3/t17-,18+/m0/s1
InChIKey CTEULNFUAIAEJE-ZWKOTPCHSA-N
Literature Reference DOI 10.1002/cctc.201402572
Molecular Weight 356.503 g/mol
SMILES C(CCCCCCC)[C@]1([C@@](CCCCCCCC(=O)OC)(OC(O1)=O)[H])[H]
SPLASH splash10-0a4l-9320000000-c734e26c3e8e8bffd90a
Source of Spectrum CCC-6-3499-cis_2m
Wiley ID 1787112