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Heptafluorobutanoic acid, 2-(1-adamantyl)ethyl ester

View entire compound with spectra: 1 NMR

Heptafluorobutanoic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID AVXiVQZzVJk
InChI InChI=1S/C16H19F7O2/c17-14(18,15(19,20)16(21,22)23)12(24)25-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2/t9-,10+,11-,13+
InChIKey OUBJDVZNGUQJLG-UPFUWZEBSA-N
Mol Weight 376.31 g/mol
Molecular Formula C16H19F7O2
Exact Mass 376.127327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrzhRV3xTJL
Name Heptafluorobutanoic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.127326991 u
Formula C16H19F7O2
InChI InChI=1S/C16H19F7O2/c17-14(18,15(19,20)16(21,22)23)12(24)25-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2/t9-,10+,11-,13+
InChIKey OUBJDVZNGUQJLG-UPFUWZEBSA-N
Molecular Weight 376.315 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F)[H]