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Pentadecafluorooctanoic acid, hex-4-yn-3-yl ester

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Pentadecafluorooctanoic acid, hex-4-yn-3-yl ester
SpectraBase Compound ID LTiA0Qant7L
InChI InChI=1S/C14H9F15O2/c1-3-5-6(4-2)31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h6H,4H2,1-2H3
InChIKey WIUXGCBDNKBVII-UHFFFAOYSA-N
Mol Weight 494.2 g/mol
Molecular Formula C14H9F15O2
Exact Mass 494.036302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8lYncOvtRw
Name Pentadecafluorooctanoic acid, hex-4-yn-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.036301973 u
Formula C14H9F15O2
InChI InChI=1S/C14H9F15O2/c1-3-5-6(4-2)31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h6H,4H2,1-2H3
InChIKey WIUXGCBDNKBVII-UHFFFAOYSA-N
Molecular Weight 494.200 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OC(CC)C#CC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F