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D-(+)-3-phenyllactic acid, o-trifluoroacetyl-, 2,2,3,4,4,4-hexafluoro-1-butyl ester

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D-(+)-3-phenyllactic acid, o-trifluoroacetyl-, 2,2,3,4,4,4-hexafluoro-1-butyl ester
SpectraBase Compound ID EEj0xAG7Enq
InChI InChI=1S/C14H11F7O4/c15-11(16)13(17,18)7-24-10(22)9(25-12(23)14(19,20)21)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKey VDMQWTQABBOFHL-UHFFFAOYSA-N
Mol Weight 376.23 g/mol
Molecular Formula C14H11F7O4
Exact Mass 376.054556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95VbUwlgC60
Name D-(+)-3-phenyllactic acid, o-trifluoroacetyl-, 2,2,3,4,4,4-hexafluoro-1-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.054555971 u
Formula C14H11F7O4
InChI InChI=1S/C14H11F7O4/c15-11(16)13(17,18)7-24-10(22)9(25-12(23)14(19,20)21)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
InChIKey VDMQWTQABBOFHL-UHFFFAOYSA-N
Molecular Weight 376.227 g/mol
SMILES C1(=CC=CC=C1)CC(C(OCC(C(F)F)(F)F)=O)OC(C(F)(F)F)=O