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8-(2-caprylylcyclopropyl)caprylic acid methyl ester
SpectraBase Compound ID 3LZ4mhd4hJE
InChI InChI=1S/C20H36O3/c1-3-4-5-7-11-14-19(21)18-16-17(18)13-10-8-6-9-12-15-20(22)23-2/h17-18H,3-16H2,1-2H3
InChIKey SGVQFLSJLOASPQ-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Pd5QTTNR5n
Name 8-(2-caprylylcyclopropyl)caprylic acid methyl ester
Alternate Name(s) 8-(2-Octanoylcyclopropyl)octanoic acid, methyl ester 8-[2-(1-oxooctyl)cyclopropyl]octanoic acid methyl ester Methyl 8-(2-octanoylcyclopropyl)octanoate
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Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-3-4-5-7-11-14-19(21)18-16-17(18)13-10-8-6-9-12-15-20(22)23-2/h17-18H,3-16H2,1-2H3
InChIKey SGVQFLSJLOASPQ-UHFFFAOYSA-N
Molecular Weight 324.505 g/mol
SMILES C1C(C1C(=O)CCCCCCC)CCCCCCCC(=O)OC
SPLASH splash10-0a4l-9300000000-77d793a3003ace08cd84
Wiley ID 1483566