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2-(6,9-dihydroxyundecyl)hexadecanoic acid
SpectraBase Compound ID G9TalDV443d
InChI InChI=1S/C27H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-24(27(30)31)20-17-15-18-21-26(29)23-22-25(28)4-2/h24-26,28-29H,3-23H2,1-2H3,(H,30,31)
InChIKey AMNFMQPLYBQVDU-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C27H54O4
Exact Mass 442.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Grb8J06EcHO
Name 2-(6,9-dihydroxyundecyl)hexadecanoic acid
Alternate Name(s) 2-[6,9-bis(oxidanyl)undecyl]hexadecanoic acid
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Formula C27H54O4
InChI InChI=1S/C27H54O4/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-24(27(30)31)20-17-15-18-21-26(29)23-22-25(28)4-2/h24-26,28-29H,3-23H2,1-2H3,(H,30,31)
InChIKey AMNFMQPLYBQVDU-UHFFFAOYSA-N
Molecular Weight 442.725 g/mol
SMILES OC(CCC(CCCCCC(C(=O)O)CCCCCCCCCCCCCC)O)CC
SPLASH splash10-052f-9100200000-6cba796b44eeb866852a
Source of Spectrum F8-8-69-2
Wiley ID 1578302