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

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Glutaric acid, 2-(adamant-1-yl)ethyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 2bsZ3rMDiW6
InChI InChI=1S/C22H28F8O4/c23-18(24)21(27,28)22(29,30)20(25,26)12-34-17(32)3-1-2-16(31)33-5-4-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15,18H,1-12H2/t13-,14+,15-,19+
InChIKey PSBIUOQDAZVVBN-IZUZZMAOSA-N
Mol Weight 508.45 g/mol
Molecular Formula C22H28F8O4
Exact Mass 508.185985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ybYSrr654p
Name Glutaric 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 508.185984682 u
Formula C22H28F8O4
InChI InChI=1S/C22H28F8O4/c23-18(24)21(27,28)22(29,30)20(25,26)12-34-17(32)3-1-2-16(31)33-5-4-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15,18H,1-12H2/t13-,14+,15-,19+
InChIKey PSBIUOQDAZVVBN-IZUZZMAOSA-N
Molecular Weight 508.449 g/mol
SMILES C(CCC(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