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Heptadecafluorononanoic acid, pentadecyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, pentadecyl ester
SpectraBase Compound ID 65l9TZEOo3I
InChI InChI=1S/C24H31F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-43-16(42)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h2-15H2,1H3
InChIKey BUUFCZIMZJKDPL-UHFFFAOYSA-N
Mol Weight 674.48 g/mol
Molecular Formula C24H31F17O2
Exact Mass 674.205259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eJYDJSc2GO
Name Heptadecafluorononanoic acid, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 674.205259007 u
Formula C24H31F17O2
InChI InChI=1S/C24H31F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-43-16(42)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h2-15H2,1H3
InChIKey BUUFCZIMZJKDPL-UHFFFAOYSA-N
Molecular Weight 674.483 g/mol
SMILES C(C(C(C(C(OCCCCCCCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F