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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl non-5-yn-3-yl ester
SpectraBase Compound ID HmJZFOJ2ENh
InChI InChI=1S/C19H24F8O4/c1-3-5-6-7-9-13(4-2)31-15(29)11-8-10-14(28)30-12-17(22,23)19(26,27)18(24,25)16(20)21/h13,16H,3-5,8-12H2,1-2H3
InChIKey SHYKAIPCNOSAMT-UHFFFAOYSA-N
Mol Weight 468.38 g/mol
Molecular Formula C19H24F8O4
Exact Mass 468.154685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAZonxeo3EJ
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl non-5-yn-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.154684553 u
Formula C19H24F8O4
InChI InChI=1S/C19H24F8O4/c1-3-5-6-7-9-13(4-2)31-15(29)11-8-10-14(28)30-12-17(22,23)19(26,27)18(24,25)16(20)21/h13,16H,3-5,8-12H2,1-2H3
InChIKey SHYKAIPCNOSAMT-UHFFFAOYSA-N
Molecular Weight 468.384 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC(CC)CC#CCCC)=O