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Cyclohexylphenylacetic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

Cyclohexylphenylacetic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID EEGQ41uDMSa
InChI InChI=1S/C18H19F7O2/c19-16(20,17(21,22)18(23,24)25)11-27-15(26)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKey BWUMAQXRQAKRHJ-UHFFFAOYSA-N
Mol Weight 400.34 g/mol
Molecular Formula C18H19F7O2
Exact Mass 400.127327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDe4gDdsKJw
Name Cyclohexylphenylacetic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.127326991 u
Formula C18H19F7O2
InChI InChI=1S/C18H19F7O2/c19-16(20,17(21,22)18(23,24)25)11-27-15(26)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKey BWUMAQXRQAKRHJ-UHFFFAOYSA-N
Molecular Weight 400.337 g/mol
SMILES C1=CC=CC=C1C(C(=O)OCC(C(C(F)(F)F)(F)F)(F)F)C1CCCCC1