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Trans-1,4-cyclohexanedimethanol, bis(heptafluorobutyrate)

View entire compound with spectra: 1 NMR, and 1 FTIR

Trans-1,4-cyclohexanedimethanol, bis(heptafluorobutyrate)
SpectraBase Compound ID AwQwwlgZ8bk
InChI InChI=1S/C16H14F14O4/c17-11(18,13(21,22)15(25,26)27)9(31)33-5-7-1-2-8(4-3-7)6-34-10(32)12(19,20)14(23,24)16(28,29)30/h7-8H,1-6H2
InChIKey QTQWIHSMFUQGAU-UHFFFAOYSA-N
Mol Weight 536.26 g/mol
Molecular Formula C16H14F14O4
Exact Mass 536.066853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ckHqtrpaLs
Name Trans-1,4-cyclohexanedimethanol, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
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Exact Mass 536.066853209 u
Formula C16H14F14O4
InChI InChI=1S/C16H14F14O4/c17-11(18,13(21,22)15(25,26)27)9(31)33-5-7-1-2-8(4-3-7)6-34-10(32)12(19,20)14(23,24)16(28,29)30/h7-8H,1-6H2
InChIKey QTQWIHSMFUQGAU-UHFFFAOYSA-N
Molecular Weight 536.262 g/mol
SMILES C1(CCC(CC1)COC(=O)C(C(C(F)(F)F)(F)F)(F)F)COC(=O)C(C(C(F)(F)F)(F)F)(F)F