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Succinic acid, 2-(adamant-1-yl)ethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

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Succinic acid, 2-(adamant-1-yl)ethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID CKrxeuiEBIJ
InChI InChI=1S/C21H26F8O4/c22-17(23)20(26,27)21(28,29)19(24,25)11-33-16(31)2-1-15(30)32-4-3-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14,17H,1-11H2/t12-,13+,14-,18+
InChIKey KFTXBKLYZRXBCK-QPBASRLBSA-N
Mol Weight 494.42 g/mol
Molecular Formula C21H26F8O4
Exact Mass 494.170335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qNVEX9CbOo
Name Succinic acid, 2-(adamant-1-yl)ethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.170334617 u
Formula C21H26F8O4
InChI InChI=1S/C21H26F8O4/c22-17(23)20(26,27)21(28,29)19(24,25)11-33-16(31)2-1-15(30)32-4-3-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14,17H,1-11H2/t12-,13+,14-,18+
InChIKey KFTXBKLYZRXBCK-QPBASRLBSA-N
Molecular Weight 494.422 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O