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Pentadecafluorooctanoic acid, oct-3-en-2-yl ester

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Pentadecafluorooctanoic acid, oct-3-en-2-yl ester
SpectraBase Compound ID 7w96PrktRXY
InChI InChI=1S/C16H15F15O2/c1-3-4-5-6-7-8(2)33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h6-8H,3-5H2,1-2H3/b7-6+
InChIKey YTNCTWJYJGADOP-VOTSOKGWSA-N
Mol Weight 524.27 g/mol
Molecular Formula C16H15F15O2
Exact Mass 524.083252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SWEkUYROSY
Name Pentadecafluorooctanoic acid, oct-3-en-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 524.083252166 u
Formula C16H15F15O2
InChI InChI=1S/C16H15F15O2/c1-3-4-5-6-7-8(2)33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h6-8H,3-5H2,1-2H3/b7-6+
InChIKey YTNCTWJYJGADOP-VOTSOKGWSA-N
Molecular Weight 524.270 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OC(C)\C=C\CCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F