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Octacosyl pentafluoropropionate

View entire compound with spectra: 1 NMR

Octacosyl pentafluoropropionate
SpectraBase Compound ID IpI2Y3ybcqo
InChI InChI=1S/C31H57F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-38-29(37)30(32,33)31(34,35)36/h2-28H2,1H3
InChIKey MGPJOTUWJUFUCV-UHFFFAOYSA-N
Mol Weight 556.8 g/mol
Molecular Formula C31H57F5O2
Exact Mass 556.427872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DuNpI2yB4i
Name Octacosyl pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 556.427871888 u
Formula C31H57F5O2
InChI InChI=1S/C31H57F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-38-29(37)30(32,33)31(34,35)36/h2-28H2,1H3
InChIKey MGPJOTUWJUFUCV-UHFFFAOYSA-N
Molecular Weight 556.787 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)C(C(F)(F)F)(F)F