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Heptadecafluorononanoic acid, tetradecyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, tetradecyl ester
SpectraBase Compound ID AwhySGMkIps
InChI InChI=1S/C23H29F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-42-15(41)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h2-14H2,1H3
InChIKey CPKCTWGWQFCVSL-UHFFFAOYSA-N
Mol Weight 660.46 g/mol
Molecular Formula C23H29F17O2
Exact Mass 660.189609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImT3Cci4oZL
Name Heptadecafluorononanoic acid, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 660.189608943 u
Formula C23H29F17O2
InChI InChI=1S/C23H29F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-42-15(41)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h2-14H2,1H3
InChIKey CPKCTWGWQFCVSL-UHFFFAOYSA-N
Molecular Weight 660.456 g/mol
SMILES C(C(C(C(C(OCCCCCCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F