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R-(+)-Hexadecyl-3-isopropyl-6-oxoheptanoate
SpectraBase Compound ID HDayst584cJ
InChI InChI=1S/C26H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-26(28)22-25(23(2)3)20-19-24(4)27/h23,25H,5-22H2,1-4H3/t25-/m1/s1
InChIKey XJXUPNSBMWNRAF-RUZDIDTESA-N
Mol Weight 410.7 g/mol
Molecular Formula C26H50O3
Exact Mass 410.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBQ79z7Qu6y
Name R-(+)-Hexadecyl-3-isopropyl-6-oxoheptanoate
Alternate Name(s) (3R)-6-oxo-3-propan-2-ylheptanoic acid hexadecyl ester Hexadecyl (3R)-6-oxo-3-propan-2-ylheptanoate Hexadecyl (3R)-3-isopropyl-6-oxo-heptanoate Hexadecyl (3R)-6-oxidanylidene-3-propan-2-yl-heptanoate
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Formula C26H50O3
InChI InChI=1S/C26H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-26(28)22-25(23(2)3)20-19-24(4)27/h23,25H,5-22H2,1-4H3/t25-/m1/s1
InChIKey XJXUPNSBMWNRAF-RUZDIDTESA-N
Molecular Weight 410.683 g/mol
SMILES C(C[C@@](CCC(=O)C)(C(C)C)[H])(=O)OCCCCCCCCCCCCCCCC
SPLASH splash10-056u-8900000000-976b7c022a60a8639625
Source of Spectrum PR-1-0-0
Wiley ID 1373808