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benzoic acid [(2S,3S,4R)-5-fluoro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-3-yl] ester
SpectraBase Compound ID AS9uCLVIwzs
InChI InChI=1S/C15H13F4NO4/c1-8-12(24-13(21)9-5-3-2-4-6-9)11(10(16)7-23-8)20-14(22)15(17,18)19/h2-8,11-12H,1H3,(H,20,22)/t8-,11-,12+/m0/s1
InChIKey LNOQFTDDZJEGED-KPXOXKRLSA-N
Mol Weight 347.27 g/mol
Molecular Formula C15H13F4NO4
Exact Mass 347.078071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bGsU5ri951
Name benzoic acid [(2S,3S,4R)-5-fluoro-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-3-yl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13F4NO4
InChI InChI=1S/C15H13F4NO4/c1-8-12(24-13(21)9-5-3-2-4-6-9)11(10(16)7-23-8)20-14(22)15(17,18)19/h2-8,11-12H,1H3,(H,20,22)/t8-,11-,12+/m0/s1
InChIKey LNOQFTDDZJEGED-KPXOXKRLSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 347.266 g/mol
Source File Reference MHKO11525