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o-Desmethylnaproxen, o-trifluoroacetyl-, methyl ester

View entire compound with spectra: 1 NMR

o-Desmethylnaproxen, o-trifluoroacetyl-, methyl ester
SpectraBase Compound ID BJdPpbxuyQ8
InChI InChI=1S/C16H13F3O4/c1-9(14(20)22-2)10-3-4-12-8-13(6-5-11(12)7-10)23-15(21)16(17,18)19/h3-9H,1-2H3/t9-/m0/s1
InChIKey CUTGDQIMAJWFRH-VIFPVBQESA-N
Mol Weight 326.27 g/mol
Molecular Formula C16H13F3O4
Exact Mass 326.076593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6C7FBIcSyfi
Name o-Desmethylnaproxen, o-trifluoroacetyl-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.076593384 u
Formula C16H13F3O4
InChI InChI=1S/C16H13F3O4/c1-9(14(20)22-2)10-3-4-12-8-13(6-5-11(12)7-10)23-15(21)16(17,18)19/h3-9H,1-2H3/t9-/m0/s1
InChIKey CUTGDQIMAJWFRH-VIFPVBQESA-N
Molecular Weight 326.271 g/mol
SMILES C([C@@](C)(C1=CC2=C(C=C1)C=C(C=C2)OC(=O)C(F)(F)F)[H])(=O)OC