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

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L-Valine, N-(2-trifluoromethylbenzoyl)-, propyl ester
SpectraBase Compound ID UBwW8kPViV
InChI InChI=1S/C16H20F3NO3/c1-4-9-23-15(22)13(10(2)3)20-14(21)11-7-5-6-8-12(11)16(17,18)19/h5-8,10,13H,4,9H2,1-3H3,(H,20,21)
InChIKey KVSIMTDWFHOFDO-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C16H20F3NO3
Exact Mass 331.139528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8Uece7cqaQ
Name L-Valine, N-(2-trifluoromethylbenzoyl)-, propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.139527994 u
Formula C16H20F3NO3
InChI InChI=1S/C16H20F3NO3/c1-4-9-23-15(22)13(10(2)3)20-14(21)11-7-5-6-8-12(11)16(17,18)19/h5-8,10,13H,4,9H2,1-3H3,(H,20,21)
InChIKey KVSIMTDWFHOFDO-UHFFFAOYSA-N
Molecular Weight 331.335 g/mol
SMILES C(NC(C(C)C)C(=O)OCCC)(=O)C1=CC=CC=C1C(F)(F)F