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Heptafluorobutanoic acid, 1-adamantylmethyl ester

View entire compound with spectra: 1 NMR

Heptafluorobutanoic acid, 1-adamantylmethyl ester
SpectraBase Compound ID FHeHdlFitNc
InChI InChI=1S/C15H17F7O2/c16-13(17,14(18,19)15(20,21)22)11(23)24-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2/t8-,9+,10-,12-
InChIKey FQROSXBWXUCAKA-GOCCLTDMSA-N
Mol Weight 362.29 g/mol
Molecular Formula C15H17F7O2
Exact Mass 362.111677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36PZbiVvNrE
Name Heptafluorobutanoic acid, 1-adamantylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.111676926 u
Formula C15H17F7O2
InChI InChI=1S/C15H17F7O2/c16-13(17,14(18,19)15(20,21)22)11(23)24-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2/t8-,9+,10-,12-
InChIKey FQROSXBWXUCAKA-GOCCLTDMSA-N
Molecular Weight 362.288 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)C(C(C(F)(F)F)(F)F)(F)F)[H]