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Pentadecafluorooctanoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester
SpectraBase Compound ID AsGjnvNEhbi
InChI InChI=1S/C18H15F15O2/c1-8(2)5-6-10(7-9(3)4)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/h9-10H,1,7H2,2-4H3
InChIKey NFZUCRFRZSIQAT-UHFFFAOYSA-N
Mol Weight 548.29 g/mol
Molecular Formula C18H15F15O2
Exact Mass 548.083252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jBGSDsDeNN
Name Pentadecafluorooctanoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.083252166 u
Formula C18H15F15O2
InChI InChI=1S/C18H15F15O2/c1-8(2)5-6-10(7-9(3)4)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/h9-10H,1,7H2,2-4H3
InChIKey NFZUCRFRZSIQAT-UHFFFAOYSA-N
Molecular Weight 548.292 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OC(C#CC(C)=C)CC(C)C)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F