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

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Pentafluoropropionic acid, 2-(1-adamantyl)ethyl ester
SpectraBase Compound ID 70ZgaGM5cUT
InChI InChI=1S/C15H19F5O2/c16-14(17,15(18,19)20)12(21)22-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2/t9-,10+,11-,13+
InChIKey OULVHNOERVOXKN-UPFUWZEBSA-N
Mol Weight 326.31 g/mol
Molecular Formula C15H19F5O2
Exact Mass 326.130521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64p6oXcNghz
Name Pentafluoropropionic acid, 2-(1-adamantyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 326.130520665 u
Formula C15H19F5O2
InChI InChI=1S/C15H19F5O2/c16-14(17,15(18,19)20)12(21)22-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2/t9-,10+,11-,13+
InChIKey OULVHNOERVOXKN-UPFUWZEBSA-N
Molecular Weight 326.307 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)C(C(F)(F)F)(F)F)[H]