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(+)-bakuchiol, pentafluoropropionate

View entire compound with spectra: 1 NMR

(+)-bakuchiol, pentafluoropropionate
SpectraBase Compound ID 5x5sT70jxW4
InChI InChI=1S/C21H23F5O2/c1-5-19(4,13-6-7-15(2)3)14-12-16-8-10-17(11-9-16)28-18(27)20(22,23)21(24,25)26/h5,7-12,14H,1,6,13H2,2-4H3/b14-12+
InChIKey KFJYQIYGJXYZRB-WYMLVPIESA-N
Mol Weight 402.41 g/mol
Molecular Formula C21H23F5O2
Exact Mass 402.161821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9W9O8iqJZme
Name (+)-bakuchiol, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 402.161820794 u
Formula C21H23F5O2
InChI InChI=1S/C21H23F5O2/c1-5-19(4,13-6-7-15(2)3)14-12-16-8-10-17(11-9-16)28-18(27)20(22,23)21(24,25)26/h5,7-12,14H,1,6,13H2,2-4H3/b14-12+
InChIKey KFJYQIYGJXYZRB-WYMLVPIESA-N
Molecular Weight 402.405 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)(CCC=C(C)C)(C=C)C