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

View entire compound with spectra: 1 NMR

Sinapic acid, o-heptafluorobutyryl-, 1,1,1-trifluoro-2-propyl ester
SpectraBase Compound ID 92QaWada4qx
InChI InChI=1S/C18H14F10O6/c1-8(16(21,22)23)33-12(29)5-4-9-6-10(31-2)13(11(7-9)32-3)34-14(30)15(19,20)17(24,25)18(26,27)28/h4-8H,1-3H3/b5-4+
InChIKey OCKWHEVWWLMIPG-SNAWJCMRSA-N
Mol Weight 516.29 g/mol
Molecular Formula C18H14F10O6
Exact Mass 516.06307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20DOate4rpK
Name Sinapic acid, o-heptafluorobutyryl-, 1,1,1-trifluoro-2-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 516.063069795 u
Formula C18H14F10O6
InChI InChI=1S/C18H14F10O6/c1-8(16(21,22)23)33-12(29)5-4-9-6-10(31-2)13(11(7-9)32-3)34-14(30)15(19,20)17(24,25)18(26,27)28/h4-8H,1-3H3/b5-4+
InChIKey OCKWHEVWWLMIPG-SNAWJCMRSA-N
Molecular Weight 516.288 g/mol
SMILES C1(=C(C(=CC(=C1)\C=C\C(=O)OC(C(F)(F)F)C)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC