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3-(Methoxymethoxy)-2-[N-(trifluoroacetamido)]octadec-4(E)-en-1-ol isomer [4E-D-erytho-C18-sphingosine dec.]
SpectraBase Compound ID HMNugjZFSyG
InChI InChI=1S/C22H40F3NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(30-18-29-2)19(17-27)26-21(28)22(23,24)25/h15-16,19-20,27H,3-14,17-18H2,1-2H3,(H,26,28)/b16-15+/t19-,20+/m0/s1
InChIKey CDVBBLVSAOXRFE-QUDYQQOWSA-N
Mol Weight 439.6 g/mol
Molecular Formula C22H40F3NO4
Exact Mass 439.290943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98rXI0sN69z
Name 3-(Methoxymethoxy)-2-[N-(trifluoroacetamido)]octadec-4(E)-en-1-ol isomer [4E-D-erytho-C18-sphingosine dec.]
Comments Less than 3 mono-isotopic peaks
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Formula C22H40F3NO4
InChI InChI=1S/C22H40F3NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(30-18-29-2)19(17-27)26-21(28)22(23,24)25/h15-16,19-20,27H,3-14,17-18H2,1-2H3,(H,26,28)/b16-15+/t19-,20+/m0/s1
InChIKey CDVBBLVSAOXRFE-QUDYQQOWSA-N
Molecular Weight 439.560 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@](CO)([C@@](\C=C\CCCCCCCCCCCCC)(OCOC)[H])[H]
SPLASH splash10-001i-9000000000-57736f2a29eef49bda8b
Source of Spectrum E1-41-1544-28
Wiley ID 1559714