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3,3,5-Trimethylcyclohexyl 2-(heptafluorobutyryloxy)benzoate

View entire compound with spectra: 1 NMR

3,3,5-Trimethylcyclohexyl 2-(heptafluorobutyryloxy)benzoate
SpectraBase Compound ID K7F8iMMtnri
InChI InChI=1S/C20H21F7O4/c1-11-8-12(10-17(2,3)9-11)30-15(28)13-6-4-5-7-14(13)31-16(29)18(21,22)19(23,24)20(25,26)27/h4-7,11-12H,8-10H2,1-3H3
InChIKey SGFABSORPRSFLG-UHFFFAOYSA-N
Mol Weight 458.37 g/mol
Molecular Formula C20H21F7O4
Exact Mass 458.132806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14IugoKPV0p
Name 3,3,5-Trimethylcyclohexyl 2-(heptafluorobutyryloxy)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 458.132806293 u
Formula C20H21F7O4
InChI InChI=1S/C20H21F7O4/c1-11-8-12(10-17(2,3)9-11)30-15(28)13-6-4-5-7-14(13)31-16(29)18(21,22)19(23,24)20(25,26)27/h4-7,11-12H,8-10H2,1-3H3
InChIKey SGFABSORPRSFLG-UHFFFAOYSA-N
Molecular Weight 458.373 g/mol
SMILES C1=C(C(C(=O)OC2CC(C)CC(C2)(C)C)=CC=C1)OC(C(F)(C(F)(C(F)(F)F)F)F)=O