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Hexatriacontyl pentafluoropropionate

View entire compound with spectra: 1 NMR

Hexatriacontyl pentafluoropropionate
SpectraBase Compound ID IshMVxfZ3Z8
InChI InChI=1S/C39H73F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-46-37(45)38(40,41)39(42,43)44/h2-36H2,1H3
InChIKey LOCRWHYJIWHMIX-UHFFFAOYSA-N
Mol Weight 669.0 g/mol
Molecular Formula C39H73F5O2
Exact Mass 668.553072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 376rcBKNJbn
Name Hexatriacontyl pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 668.553072404 u
Formula C39H73F5O2
InChI InChI=1S/C39H73F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-46-37(45)38(40,41)39(42,43)44/h2-36H2,1H3
InChIKey LOCRWHYJIWHMIX-UHFFFAOYSA-N
Molecular Weight 669.003 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)C(C(F)(F)F)(F)F