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1,4-bis[11'-Methoxycarbonyl-2'-iodoundecyl)-octadluorobutanefluoromethane

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1,4-bis[11'-Methoxycarbonyl-2'-iodoundecyl)-octadluorobutanefluoromethane
SpectraBase Compound ID 3pp6tFlPTkW
InChI InChI=1S/C28H44F8I2O4/c1-41-23(39)17-13-9-5-3-7-11-15-21(37)19-25(29,30)27(33,34)28(35,36)26(31,32)20-22(38)16-12-8-4-6-10-14-18-24(40)42-2/h21-22H,3-20H2,1-2H3
InChIKey WHJNQUXITRQRPB-UHFFFAOYSA-N
Mol Weight 850.5 g/mol
Molecular Formula C28H44F8I2O4
Exact Mass 850.120125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQ8cM2KU9DR
Name 1,4-bis[11'-Methoxycarbonyl-2'-iodoundecyl)-octadluorobutanefluoromethane
Comments Computed using HOSE algorithm
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Exact Mass 850.120125197 u
Formula C28H44F8I2O4
InChI InChI=1S/C28H44F8I2O4/c1-41-23(39)17-13-9-5-3-7-11-15-21(37)19-25(29,30)27(33,34)28(35,36)26(31,32)20-22(38)16-12-8-4-6-10-14-18-24(40)42-2/h21-22H,3-20H2,1-2H3
InChIKey WHJNQUXITRQRPB-UHFFFAOYSA-N
Molecular Weight 850.452 g/mol
SMILES C(C(C(CC(I)CCCCCCCCC(=O)OC)(F)F)(F)F)(C(CC(I)CCCCCCCCC(=O)OC)(F)F)(F)F