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1,3-Benzenediol, o-cyclohexanecarbonyl-o'-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-cyclohexanecarbonyl-o'-heptafluorobutyryl-
SpectraBase Compound ID 39FyjxBLyDR
InChI InChI=1S/C17H15F7O4/c18-15(19,16(20,21)17(22,23)24)14(26)28-12-8-4-7-11(9-12)27-13(25)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
InChIKey MUVVBCSOLITSQM-UHFFFAOYSA-N
Mol Weight 416.29 g/mol
Molecular Formula C17H15F7O4
Exact Mass 416.085856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60nBkFc1aau
Name 1,3-Benzenediol, o-cyclohexanecarbonyl-o'-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 416.085856100 u
Formula C17H15F7O4
InChI InChI=1S/C17H15F7O4/c18-15(19,16(20,21)17(22,23)24)14(26)28-12-8-4-7-11(9-12)27-13(25)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
InChIKey MUVVBCSOLITSQM-UHFFFAOYSA-N
Molecular Weight 416.292 g/mol
SMILES C1(=CC(=CC=C1)OC(=O)C1CCCCC1)OC(C(C(C(F)(F)F)(F)F)(F)F)=O