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Pentadecafluorooctanoic acid, tridec-2-yn-1-yl ester

View entire compound with spectra: 1 NMR

Pentadecafluorooctanoic acid, tridec-2-yn-1-yl ester
SpectraBase Compound ID 9uog0RxehOy
InChI InChI=1S/C21H23F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-38-14(37)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h2-10,13H2,1H3
InChIKey GVXWEJCIBRQRKO-UHFFFAOYSA-N
Mol Weight 592.39 g/mol
Molecular Formula C21H23F15O2
Exact Mass 592.145852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1azJEOIWhz8
Name Pentadecafluorooctanoic acid, tridec-2-yn-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 592.145852424 u
Formula C21H23F15O2
InChI InChI=1S/C21H23F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-38-14(37)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)36/h2-10,13H2,1H3
InChIKey GVXWEJCIBRQRKO-UHFFFAOYSA-N
Molecular Weight 592.389 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCC#CCCCCCCCCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F