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3,7-Dimethyloctyl 3,7-dimethyloctanoate
SpectraBase Compound ID KWkivssOqEh
InChI InChI=1S/C20H40O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h16-19H,7-15H2,1-6H3
InChIKey RPMDAXIWRPPCBN-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32igNCmoYS
Name 3,7-Dimethyloctyl 3,7-dimethyloctanoate
Alternate Name(s) 3,7-Dimethyloctanoic acid 3,7-dimethyloctyl ester
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Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h16-19H,7-15H2,1-6H3
InChIKey RPMDAXIWRPPCBN-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(=O)(CC(CCCC(C)C)C)OCCC(CCCC(C)C)C
SPLASH splash10-0596-9200000000-c3d15a3bd8673f97f7f8
Source of Spectrum F3-24-140-20
Wiley ID 1565402