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Methyl-3-o-(.alpha.-methoxy-.alpha.-trifluoromethylphenylacetyl)-2S,3-dihydroxy-2-methylpropanoate
SpectraBase Compound ID 7mqkr0969s
InChI InChI=1S/C15H17F3O6/c1-13(21,11(19)22-2)9-24-12(20)14(23-3,15(16,17)18)10-7-5-4-6-8-10/h4-8,21H,9H2,1-3H3/t13-,14?/m0/s1
InChIKey VPCNPNRZUFTGQY-LSLKUGRBSA-N
Mol Weight 350.29 g/mol
Molecular Formula C15H17F3O6
Exact Mass 350.097723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cRft8TwuEq
Name Methyl-3-o-(.alpha.-methoxy-.alpha.-trifluoromethylphenylacetyl)-2S,3-dihydroxy-2-methylpropanoate
Comments Computed using HOSE algorithm
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Exact Mass 350.097722750 u
Formula C15H17F3O6
InChI InChI=1S/C15H17F3O6/c1-13(21,11(19)22-2)9-24-12(20)14(23-3,15(16,17)18)10-7-5-4-6-8-10/h4-8,21H,9H2,1-3H3/t13-,14?/m0/s1
InChIKey VPCNPNRZUFTGQY-LSLKUGRBSA-N
Molecular Weight 350.290 g/mol
SMILES C(C(F)(F)F)(C(OC[C@@](C(=O)OC)(O)C)=O)(C1=CC=CC=C1)OC