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Pentadecafluorooctanoic acid, heptadecyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, heptadecyl ester
SpectraBase Compound ID DzwdSo63PNX
InChI InChI=1S/C25H35F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-42-18(41)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h2-17H2,1H3
InChIKey KVHZMXPZBUEMSI-UHFFFAOYSA-N
Mol Weight 652.5 g/mol
Molecular Formula C25H35F15O2
Exact Mass 652.239753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEG4OUVJvMO
Name Pentadecafluorooctanoic acid, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 652.239752810 u
Formula C25H35F15O2
InChI InChI=1S/C25H35F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-42-18(41)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h2-17H2,1H3
InChIKey KVHZMXPZBUEMSI-UHFFFAOYSA-N
Molecular Weight 652.529 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCCCCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F