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(1S,2R,8S)-1,2,8-trimethyldecyl Propionate
SpectraBase Compound ID 8e8a0wzD1Na
InChI InChI=1S/C16H32O2/c1-6-13(3)11-9-8-10-12-14(4)15(5)18-16(17)7-2/h13-15H,6-12H2,1-5H3/t13-,14+,15-/m0/s1
InChIKey BXNPBKUHWPVRIH-ZNMIVQPWSA-N
Mol Weight 256.4 g/mol
Molecular Formula C16H32O2
Exact Mass 256.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3F2dCN38dK
Name (1S,2R,8S)-1,2,8-trimethyldecyl Propionate
Alternate Name(s) Propanoic acid[(2S,3R,9S)-3,9-dimethylundecan-2-yl]ester Propionic acid[(1S,2R,8S)-1,2,8-trimethyldecyl]ester [(1S,2R,8S)-1,2,8-trimethyldecyl]propanoate [(2S,3R,9S)-3,9-dimethylundecan-2-yl]propanoate Propanoic acid [(2S,3R,9S)-3,9-dimethylundecan-2-yl] ester [(1S,2R,8S)-1,2,8-trimethyldecyl] propanoate [(2S,3R,9S)-3,9-dimethylundecan-2-yl] propanoate
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Formula C16H32O2
InChI InChI=1S/C16H32O2/c1-6-13(3)11-9-8-10-12-14(4)15(5)18-16(17)7-2/h13-15H,6-12H2,1-5H3/t13-,14+,15-/m0/s1
InChIKey BXNPBKUHWPVRIH-ZNMIVQPWSA-N
Molecular Weight 256.430 g/mol
SMILES C(O[C@]([C@@](CCCCC[C@](CC)(C)[H])(C)[H])(C)[H])(=O)CC
SPLASH splash10-0pbi-9400000000-7be4addf70050130591a
Source of Spectrum AJ-75-114-7
Wiley ID 1576993