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

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L-Valine, N-(2-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID 6gvsM6uHpqR
InChI InChI=1S/C18H24F3NO3/c1-4-5-8-11-25-17(24)15(12(2)3)22-16(23)13-9-6-7-10-14(13)18(19,20)21/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H,22,23)
InChIKey FZUHNPIFVHWGHX-UHFFFAOYSA-N
Mol Weight 359.39 g/mol
Molecular Formula C18H24F3NO3
Exact Mass 359.170828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2uX1rJxGeX
Name L-Valine, N-(2-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.170828123 u
Formula C18H24F3NO3
InChI InChI=1S/C18H24F3NO3/c1-4-5-8-11-25-17(24)15(12(2)3)22-16(23)13-9-6-7-10-14(13)18(19,20)21/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H,22,23)
InChIKey FZUHNPIFVHWGHX-UHFFFAOYSA-N
Molecular Weight 359.389 g/mol
SMILES C1=CC=CC(=C1C(F)(F)F)C(NC(C(C)C)C(OCCCCC)=O)=O