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L-Alanine, N-(2-trifluoromethylbenzoyl)-, hexyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(2-trifluoromethylbenzoyl)-, hexyl ester
SpectraBase Compound ID CuVniAOShDB
InChI InChI=1S/C17H22F3NO3/c1-3-4-5-8-11-24-16(23)12(2)21-15(22)13-9-6-7-10-14(13)17(18,19)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,21,22)
InChIKey SDSIFIACSCDZIN-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 6YWzzwqAr2m
Name L-Alanine, N-(2-trifluoromethylbenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 345.155178058 u
Formula C17H22F3NO3
InChI InChI=1S/C17H22F3NO3/c1-3-4-5-8-11-24-16(23)12(2)21-15(22)13-9-6-7-10-14(13)17(18,19)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,21,22)
InChIKey SDSIFIACSCDZIN-UHFFFAOYSA-N
Molecular Weight 345.362 g/mol
SMILES C1(=CC=CC=C1C(NC(C)C(OCCCCCC)=O)=O)C(F)(F)F