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Ethyl 4-hydroxy-3-methoxycinnamate, heptafluorobutyrate

View entire compound with spectra: 1 NMR

Ethyl 4-hydroxy-3-methoxycinnamate, heptafluorobutyrate
SpectraBase Compound ID 29KgbWf53rC
InChI InChI=1S/C16H13F7O5/c1-3-27-12(24)7-5-9-4-6-10(11(8-9)26-2)28-13(25)14(17,18)15(19,20)16(21,22)23/h4-8H,3H2,1-2H3/b7-5+
InChIKey ZYBMGTWZCBMYLY-FNORWQNLSA-N
Mol Weight 418.26 g/mol
Molecular Formula C16H13F7O5
Exact Mass 418.065121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1J4htDNXJ3
Name Ethyl 4-hydroxy-3-methoxycinnamate, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 418.065120655 u
Formula C16H13F7O5
InChI InChI=1S/C16H13F7O5/c1-3-27-12(24)7-5-9-4-6-10(11(8-9)26-2)28-13(25)14(17,18)15(19,20)16(21,22)23/h4-8H,3H2,1-2H3/b7-5+
InChIKey ZYBMGTWZCBMYLY-FNORWQNLSA-N
Molecular Weight 418.264 g/mol
SMILES C(\C=C\C1=CC(OC)=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)(OCC)=O