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3-Phenyllactic acid, o-heptafluorobutyryl-, 1,1,1-trifluoro-2-propyl ester

View entire compound with spectra: 1 NMR

3-Phenyllactic acid, o-heptafluorobutyryl-, 1,1,1-trifluoro-2-propyl ester
SpectraBase Compound ID Av6no58FEIF
InChI InChI=1S/C16H12F10O4/c1-8(14(19,20)21)29-11(27)10(7-9-5-3-2-4-6-9)30-12(28)13(17,18)15(22,23)16(24,25)26/h2-6,8,10H,7H2,1H3
InChIKey KVKKHUFBKIGHOU-UHFFFAOYSA-N
Mol Weight 458.25 g/mol
Molecular Formula C16H12F10O4
Exact Mass 458.05759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AsmGzMXvQG1
Name 3-Phenyllactic acid, o-heptafluorobutyryl-, 1,1,1-trifluoro-2-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.057590492 u
Formula C16H12F10O4
InChI InChI=1S/C16H12F10O4/c1-8(14(19,20)21)29-11(27)10(7-9-5-3-2-4-6-9)30-12(28)13(17,18)15(22,23)16(24,25)26/h2-6,8,10H,7H2,1H3
InChIKey KVKKHUFBKIGHOU-UHFFFAOYSA-N
Molecular Weight 458.252 g/mol
SMILES C1(=CC=CC=C1)CC(C(OC(C(F)(F)F)C)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F