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L-Valine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID 1KAfAOsLIBb
InChI InChI=1S/C18H23F4NO3/c1-4-5-6-7-26-17(25)15(11(2)3)23-16(24)12-8-13(18(20,21)22)10-14(19)9-12/h8-11,15H,4-7H2,1-3H3,(H,23,24)
InChIKey AMGQBWAMPWXXDP-UHFFFAOYSA-N
Mol Weight 377.38 g/mol
Molecular Formula C18H23F4NO3
Exact Mass 377.161406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XgytVLUyxf
Name L-Valine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.161406254 u
Formula C18H23F4NO3
InChI InChI=1S/C18H23F4NO3/c1-4-5-6-7-26-17(25)15(11(2)3)23-16(24)12-8-13(18(20,21)22)10-14(19)9-12/h8-11,15H,4-7H2,1-3H3,(H,23,24)
InChIKey AMGQBWAMPWXXDP-UHFFFAOYSA-N
Molecular Weight 377.380 g/mol
SMILES C(C1=CC(=CC(=C1)C(NC(C(C)C)C(OCCCCC)=O)=O)F)(F)(F)F