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1,2-Dioctanoyl-sn-glycerol, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

1,2-Dioctanoyl-sn-glycerol, o-heptafluorobutyryl-
SpectraBase Compound ID 8oHuamzt1xh
InChI InChI=1S/C23H35F7O6/c1-3-5-7-9-11-13-18(31)34-15-17(36-19(32)14-12-10-8-6-4-2)16-35-20(33)21(24,25)22(26,27)23(28,29)30/h17H,3-16H2,1-2H3
InChIKey ZWWWOBKNCGAETD-UHFFFAOYSA-N
Mol Weight 540.5 g/mol
Molecular Formula C23H35F7O6
Exact Mass 540.232186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsRN0ulW2Cw
Name 1,2-Dioctanoyl-sn-glycerol, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 540.232185982 u
Formula C23H35F7O6
InChI InChI=1S/C23H35F7O6/c1-3-5-7-9-11-13-18(31)34-15-17(36-19(32)14-12-10-8-6-4-2)16-35-20(33)21(24,25)22(26,27)23(28,29)30/h17H,3-16H2,1-2H3
InChIKey ZWWWOBKNCGAETD-UHFFFAOYSA-N
Molecular Weight 540.516 g/mol
SMILES C(OC(CCCCCCC)=O)C(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(CCCCCCC)=O