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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl adamant-2-yl ester

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Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl adamant-2-yl ester
SpectraBase Compound ID 9uwYUtGqe5q
InChI InChI=1S/C19H22F8O4/c20-16(21)18(24,25)19(26,27)17(22,23)8-30-13(28)1-2-14(29)31-15-11-4-9-3-10(6-11)7-12(15)5-9/h9-12,15-16H,1-8H2/t9-,10+,11-,12+,15?
InChIKey FSWQMUPUKTVOEE-JHUGZRMSSA-N
Mol Weight 466.37 g/mol
Molecular Formula C19H22F8O4
Exact Mass 466.139034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dy77ilLpEqC
Name Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl adamant-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.139034488 u
Formula C19H22F8O4
InChI InChI=1S/C19H22F8O4/c20-16(21)18(24,25)19(26,27)17(22,23)8-30-13(28)1-2-14(29)31-15-11-4-9-3-10(6-11)7-12(15)5-9/h9-12,15-16H,1-8H2/t9-,10+,11-,12+,15?
InChIKey FSWQMUPUKTVOEE-JHUGZRMSSA-N
Molecular Weight 466.368 g/mol
SMILES C(CC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O