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Methyl o,o'-bis(pentafluoropropionoyl)vanillactate

View entire compound with spectra: 1 NMR

Methyl o,o'-bis(pentafluoropropionoyl)vanillactate
SpectraBase Compound ID 1CX22C6nDPl
InChI InChI=1S/C17H12F10O7/c1-31-9-5-7(3-4-8(9)33-12(29)14(18,19)16(22,23)24)6-10(11(28)32-2)34-13(30)15(20,21)17(25,26)27/h3-5,10H,6H2,1-2H3
InChIKey JWYXXVLBESEHFA-UHFFFAOYSA-N
Mol Weight 518.26 g/mol
Molecular Formula C17H12F10O7
Exact Mass 518.042334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZgXsh0QOaQ
Name Methyl o,o'-bis(pentafluoropropionoyl)vanillactate
Comments Computed using HOSE algorithm
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Exact Mass 518.042334349 u
Formula C17H12F10O7
InChI InChI=1S/C17H12F10O7/c1-31-9-5-7(3-4-8(9)33-12(29)14(18,19)16(22,23)24)6-10(11(28)32-2)34-13(30)15(20,21)17(25,26)27/h3-5,10H,6H2,1-2H3
InChIKey JWYXXVLBESEHFA-UHFFFAOYSA-N
Molecular Weight 518.260 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(F)(F)C(F)(F)F)CC(C(OC)=O)OC(=O)C(F)(F)C(F)(F)F)OC