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Pentadecafluorooctanoic acid, pentadecyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, pentadecyl ester
SpectraBase Compound ID 1r7pjn4MjBV
InChI InChI=1S/C23H31F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-40-16(39)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h2-15H2,1H3
InChIKey KMCGZDZWUZTAKJ-UHFFFAOYSA-N
Mol Weight 624.48 g/mol
Molecular Formula C23H31F15O2
Exact Mass 624.208453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdMcmuYGw5g
Name Pentadecafluorooctanoic acid, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 624.208452681 u
Formula C23H31F15O2
InChI InChI=1S/C23H31F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-40-16(39)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h2-15H2,1H3
InChIKey KMCGZDZWUZTAKJ-UHFFFAOYSA-N
Molecular Weight 624.475 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F