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Octatriacontyl pentafluoropropionate

View entire compound with spectra: 1 NMR

Octatriacontyl pentafluoropropionate
SpectraBase Compound ID AZk5Xdh05S9
InChI InChI=1S/C41H77F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-48-39(47)40(42,43)41(44,45)46/h2-38H2,1H3
InChIKey YWJGNYMMXDJUCM-UHFFFAOYSA-N
Mol Weight 697.1 g/mol
Molecular Formula C41H77F5O2
Exact Mass 696.584373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCS2LHfgrG4
Name Octatriacontyl pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 696.584372532 u
Formula C41H77F5O2
InChI InChI=1S/C41H77F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-48-39(47)40(42,43)41(44,45)46/h2-38H2,1H3
InChIKey YWJGNYMMXDJUCM-UHFFFAOYSA-N
Molecular Weight 697.057 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)C(C(F)(F)F)(F)F