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METHYL-[11,11-(2)H(2)]-(R,S)-9-FLUOROSTEARATE
SpectraBase Compound ID G9cGqFkd9LB
InChI InChI=1S/C19H37FO2/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h18H,3-17H2,1-2H3/i12D2
InChIKey NFAJBUWYQCPVMY-XUWBISKJSA-N
Mol Weight 318.5 g/mol
Molecular Formula C19H352H2FO2
Exact Mass 318.290312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAdUZiJdYNx
Name Methyl (R,S)-11,11-dideuterio-9-fluorostearata
Comments Less than 3 mono-isotopic peaks
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Formula C19H35D2FO2
InChI InChI=1S/C19H37FO2/c1-3-4-5-6-7-9-12-15-18(20)16-13-10-8-11-14-17-19(21)22-2/h18H,3-17H2,1-2H3/i12D2
InChIKey NFAJBUWYQCPVMY-XUWBISKJSA-N
Molecular Weight 318.514 g/mol
SMILES C(=O)(OC)CCCCCCCC(F)CC(CCCCCCC)([2D])[2D]
SPLASH splash10-00kb-0090000000-dff2c98c36a0c2ffd5a6
Source of Spectrum C-124-3278-B
Synonyms 11,11-dideuterio-9-fluorooctadecanoic acid methyl ester methyl 11,11-dideuterio-9-fluorooctadecanoate methyl 11,11-dideuterio-9-fluoro-octadecanoate methyl 11,11-dideuterio-9-fluoranyl-octadecanoate
Wiley ID 1714555