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Methyl 9,10-dihydroxyoctadecanoate
SpectraBase Compound ID H1kknC7LBlw
InChI InChI=1S/C19H38O4/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18,20-21H,3-16H2,1-2H3
InChIKey RITHLQKJQSKUAO-UHFFFAOYSA-N
Mol Weight 330.5 g/mol
Molecular Formula C19H38O4
Exact Mass 330.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdaMzUiFCPv
Name Methyl 9,10-dihydroxyoctadecanoate
Alternate Name(s) Octadecanoic acid, 9,10-dihydroxy-, methyl ester 9,10-dihydroxyoctadecanoic acid methyl ester 9,10-dihydroxystearic acid methyl ester methyl 9,10-bis(oxidanyl)octadecanoate Octadecanoic acid, 9,10-dihydroxy-, methyl ester, (R*,R*)- Methyl 9,10-dihydroxystearate Methyl threo-9,10-dihydroxystearate Octadecanoic acid, 9,10-dihydroxy-, methyl ester, threo- EINECS 214-220-1
CAS Registry Number 1115-01-1
Comments Less than 3 mono-isotopic peaks
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Formula C19H38O4
InChI InChI=1S/C19H38O4/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18,20-21H,3-16H2,1-2H3
InChIKey RITHLQKJQSKUAO-UHFFFAOYSA-N
Molecular Weight 330.509 g/mol
SMILES OC(C(CCCCCCCC(=O)OC)O)CCCCCCCC
SPLASH splash10-0a4r-0900000000-b892d55ca7256a08bbe2
Source of Spectrum X4-12-637-0
Wiley ID 1585091