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Heptadecafluorononanoic acid, dodecyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, dodecyl ester
SpectraBase Compound ID 9mrbYjoGOAC
InChI InChI=1S/C21H25F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-40-13(39)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-12H2,1H3
InChIKey JNWYTNPCXKXCEK-UHFFFAOYSA-N
Mol Weight 632.4 g/mol
Molecular Formula C21H25F17O2
Exact Mass 632.158309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CF0Mn09ue0o
Name Heptadecafluorononanoic acid, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 632.158308814 u
Formula C21H25F17O2
InChI InChI=1S/C21H25F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-40-13(39)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-12H2,1H3
InChIKey JNWYTNPCXKXCEK-UHFFFAOYSA-N
Molecular Weight 632.402 g/mol
SMILES C(C(C(C(C(OCCCCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F