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Sinapic acid, o-pentafluoropropionyl-, 1,1,1-trifluoro-2-propyl ester

View entire compound with spectra: 1 NMR

Sinapic acid, o-pentafluoropropionyl-, 1,1,1-trifluoro-2-propyl ester
SpectraBase Compound ID JXkSCB1Seb7
InChI InChI=1S/C17H14F8O6/c1-8(16(20,21)22)30-12(26)5-4-9-6-10(28-2)13(11(7-9)29-3)31-14(27)15(18,19)17(23,24)25/h4-8H,1-3H3/b5-4+
InChIKey VCVLVZFGMVBPDQ-SNAWJCMRSA-N
Mol Weight 466.28 g/mol
Molecular Formula C17H14F8O6
Exact Mass 466.066263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LkaZbdcopbu
Name Sinapic acid, o-pentafluoropropionyl-, 1,1,1-trifluoro-2-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.066263469 u
Formula C17H14F8O6
InChI InChI=1S/C17H14F8O6/c1-8(16(20,21)22)30-12(26)5-4-9-6-10(28-2)13(11(7-9)29-3)31-14(27)15(18,19)17(23,24)25/h4-8H,1-3H3/b5-4+
InChIKey VCVLVZFGMVBPDQ-SNAWJCMRSA-N
Molecular Weight 466.280 g/mol
SMILES C1(=C(C(=CC(=C1)\C=C\C(=O)OC(C(F)(F)F)C)OC)OC(C(C(F)(F)F)(F)F)=O)OC