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L-Valine, N-(2-trifluoromethylbenzoyl)-, butyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-trifluoromethylbenzoyl)-, butyl ester
SpectraBase Compound ID 5HoXXvzlnGk
InChI InChI=1S/C17H22F3NO3/c1-4-5-10-24-16(23)14(11(2)3)21-15(22)12-8-6-7-9-13(12)17(18,19)20/h6-9,11,14H,4-5,10H2,1-3H3,(H,21,22)
InChIKey DJJZASPPJFALHB-UHFFFAOYSA-N
Mol Weight 345.36 g/mol
Molecular Formula C17H22F3NO3
Exact Mass 345.155178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfTFAlAPtA4
Name L-Valine, N-(2-trifluoromethylbenzoyl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.155178058 u
Formula C17H22F3NO3
InChI InChI=1S/C17H22F3NO3/c1-4-5-10-24-16(23)14(11(2)3)21-15(22)12-8-6-7-9-13(12)17(18,19)20/h6-9,11,14H,4-5,10H2,1-3H3,(H,21,22)
InChIKey DJJZASPPJFALHB-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES C1=CC=CC(=C1C(F)(F)F)C(NC(C(C)C)C(OCCCC)=O)=O