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Pentadecafluorooctanoic acid, decyl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, decyl ester
SpectraBase Compound ID 24F1DV0PKCH
InChI InChI=1S/C18H21F15O2/c1-2-3-4-5-6-7-8-9-10-35-11(34)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h2-10H2,1H3
InChIKey TXLCFHCFSWGLHL-UHFFFAOYSA-N
Mol Weight 554.34 g/mol
Molecular Formula C18H21F15O2
Exact Mass 554.130202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Db3jhEfQBEO
Name Pentadecafluorooctanoic acid, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 554.130202359 u
Formula C18H21F15O2
InChI InChI=1S/C18H21F15O2/c1-2-3-4-5-6-7-8-9-10-35-11(34)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h2-10H2,1H3
InChIKey TXLCFHCFSWGLHL-UHFFFAOYSA-N
Molecular Weight 554.340 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F