For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Ethyl trans-caffeate, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

Ethyl trans-caffeate, bis(trifluoroacetate)
SpectraBase Compound ID AqCoDZHJv3s
InChI InChI=1S/C15H10F6O6/c1-2-25-11(22)6-4-8-3-5-9(26-12(23)14(16,17)18)10(7-8)27-13(24)15(19,20)21/h3-7H,2H2,1H3/b6-4+
InChIKey OLOWFHXJDDYDKA-GQCTYLIASA-N
Mol Weight 400.23 g/mol
Molecular Formula C15H10F6O6
Exact Mass 400.038157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EQAxcpC3ol7
Name Ethyl trans-caffeate, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.038157014 u
Formula C15H10F6O6
InChI InChI=1S/C15H10F6O6/c1-2-25-11(22)6-4-8-3-5-9(26-12(23)14(16,17)18)10(7-8)27-13(24)15(19,20)21/h3-7H,2H2,1H3/b6-4+
InChIKey OLOWFHXJDDYDKA-GQCTYLIASA-N
Molecular Weight 400.229 g/mol
SMILES C(\C=C\C1=CC(OC(C(F)(F)F)=O)=C(C=C1)OC(C(F)(F)F)=O)(OCC)=O