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1,5-Dimethyl-2-isopentylhexyl tetradecanoate
SpectraBase Compound ID KxAOPJlGbV1
InChI InChI=1S/C27H54O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(28)29-25(6)26(21-19-23(2)3)22-20-24(4)5/h23-26H,7-22H2,1-6H3
InChIKey JHAGSLRTFDBCLA-UHFFFAOYSA-N
Mol Weight 410.7 g/mol
Molecular Formula C27H54O2
Exact Mass 410.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ho454gK9gy
Name 1,5-Dimethyl-2-isopentylhexyl tetradecanoate
Alternate Name(s) 1,5-Dimethyl-2-(3-methylbutyl)hexyl tetradecanoate
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Formula C27H54O2
InChI InChI=1S/C27H54O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(28)29-25(6)26(21-19-23(2)3)22-20-24(4)5/h23-26H,7-22H2,1-6H3
InChIKey JHAGSLRTFDBCLA-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 410.727 g/mol
SMILES CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C
SPLASH splash10-08mi-9230000000-4669bc16d8abdfc41e99
Source of Spectrum SRH-2022-10081-0
Wiley ID 1831709