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Trans-4-[(2,2,3,3,3-pentafluoropropanoyloxy)methyl]cyclohexanecarboxylic acid, methyl ester

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Trans-4-[(2,2,3,3,3-pentafluoropropanoyloxy)methyl]cyclohexanecarboxylic acid, methyl ester
SpectraBase Compound ID Ll8BxuLEPAw
InChI InChI=1S/C12H15F5O4/c1-20-9(18)8-4-2-7(3-5-8)6-21-10(19)11(13,14)12(15,16)17/h7-8H,2-6H2,1H3
InChIKey BFWYRMRWWWFTAS-UHFFFAOYSA-N
Mol Weight 318.24 g/mol
Molecular Formula C12H15F5O4
Exact Mass 318.08905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KqhGVL08wez
Name Trans-4-[(2,2,3,3,3-pentafluoropropanoyloxy)methyl]cyclohexanecarboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.089049774 u
Formula C12H15F5O4
InChI InChI=1S/C12H15F5O4/c1-20-9(18)8-4-2-7(3-5-8)6-21-10(19)11(13,14)12(15,16)17/h7-8H,2-6H2,1H3
InChIKey BFWYRMRWWWFTAS-UHFFFAOYSA-N
Molecular Weight 318.240 g/mol
SMILES C1(CCC(CC1)COC(=O)C(C(F)(F)F)(F)F)C(=O)OC