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Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl undec-2-enyl ester
SpectraBase Compound ID 9nTIjiGmVq4
InChI InChI=1S/C21H30F8O4/c1-2-3-4-5-6-7-8-9-10-14-32-16(30)12-11-13-17(31)33-15-19(24,25)21(28,29)20(26,27)18(22)23/h9-10,18H,2-8,11-15H2,1H3/b10-9+
InChIKey DZARZFOLDSMPJA-MDZDMXLPSA-N
Mol Weight 498.45 g/mol
Molecular Formula C21H30F8O4
Exact Mass 498.201635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfSn51U3eVY
Name Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl undec-2-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.201634746 u
Formula C21H30F8O4
InChI InChI=1S/C21H30F8O4/c1-2-3-4-5-6-7-8-9-10-14-32-16(30)12-11-13-17(31)33-15-19(24,25)21(28,29)20(26,27)18(22)23/h9-10,18H,2-8,11-15H2,1H3/b10-9+
InChIKey DZARZFOLDSMPJA-MDZDMXLPSA-N
Molecular Weight 498.454 g/mol
SMILES C(CCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC\C=C\CCCCCCCC)=O