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3-Hydroxy-4-methoxycinnamic acid, o-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester

View entire compound with spectra: 1 NMR

3-Hydroxy-4-methoxycinnamic acid, o-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID IIlJPHvj3mp
InChI InChI=1S/C15H11F7O5/c1-25-9-4-2-8(6-10(9)27-13(24)15(20,21)22)3-5-11(23)26-7-14(18,19)12(16)17/h2-6,12H,7H2,1H3/b5-3+
InChIKey RLKPFGNQZVXVBZ-HWKANZROSA-N
Mol Weight 404.24 g/mol
Molecular Formula C15H11F7O5
Exact Mass 404.049471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID u3pnynUWQ1
Name 3-Hydroxy-4-methoxycinnamic acid, o-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.049470590 u
Formula C15H11F7O5
InChI InChI=1S/C15H11F7O5/c1-25-9-4-2-8(6-10(9)27-13(24)15(20,21)22)3-5-11(23)26-7-14(18,19)12(16)17/h2-6,12H,7H2,1H3/b5-3+
InChIKey RLKPFGNQZVXVBZ-HWKANZROSA-N
Molecular Weight 404.237 g/mol
SMILES C1=C(C=CC(=C1OC(C(F)(F)F)=O)OC)\C=C\C(OCC(C(F)F)(F)F)=O