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Trans-ferulic acid, o-pentafluoropropionyl-, 1,1,1-trifluoro-2-propyl ester

View entire compound with spectra: 1 NMR

Trans-ferulic acid, o-pentafluoropropionyl-, 1,1,1-trifluoro-2-propyl ester
SpectraBase Compound ID Fkw2FLwRecM
InChI InChI=1S/C16H12F8O5/c1-8(15(19,20)21)28-12(25)6-4-9-3-5-10(11(7-9)27-2)29-13(26)14(17,18)16(22,23)24/h3-8H,1-2H3/b6-4+
InChIKey ZGPLRXOSGDISLT-GQCTYLIASA-N
Mol Weight 436.25 g/mol
Molecular Formula C16H12F8O5
Exact Mass 436.055699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0vHFkI7Bre
Name Trans-ferulic acid, o-pentafluoropropionyl-, 1,1,1-trifluoro-2-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.055698785 u
Formula C16H12F8O5
InChI InChI=1S/C16H12F8O5/c1-8(15(19,20)21)28-12(25)6-4-9-3-5-10(11(7-9)27-2)29-13(26)14(17,18)16(22,23)24/h3-8H,1-2H3/b6-4+
InChIKey ZGPLRXOSGDISLT-GQCTYLIASA-N
Molecular Weight 436.254 g/mol
SMILES C1=C(C(=CC=C1\C=C\C(OC(C(F)(F)F)C)=O)OC(C(C(F)(F)F)(F)F)=O)OC