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L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID L9pkza7Rpf3
InChI InChI=1S/C18H23F4NO3/c1-4-5-6-9-26-17(25)15(11(2)3)23-16(24)13-10-12(18(20,21)22)7-8-14(13)19/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,23,24)
InChIKey PDMWCYJCPSUYGX-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 JO0d0ncYEwA
Name L-Valine, N-(2-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/c1-4-5-6-9-26-17(25)15(11(2)3)23-16(24)13-10-12(18(20,21)22)7-8-14(13)19/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,23,24)
InChIKey PDMWCYJCPSUYGX-UHFFFAOYSA-N
Molecular Weight 377.380 g/mol
SMILES C(C1=CC=C(C(=C1)C(NC(C(C)C)C(OCCCCC)=O)=O)F)(F)(F)F