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

View entire compound with spectra: 1 NMR

L-Valine, N-(2-trifluoromethylbenzoyl)-, heptyl ester
SpectraBase Compound ID 3i2ma3MyAbQ
InChI InChI=1S/C20H28F3NO3/c1-4-5-6-7-10-13-27-19(26)17(14(2)3)24-18(25)15-11-8-9-12-16(15)20(21,22)23/h8-9,11-12,14,17H,4-7,10,13H2,1-3H3,(H,24,25)
InChIKey ZRQHMBVDEXIITO-UHFFFAOYSA-N
Mol Weight 387.44 g/mol
Molecular Formula C20H28F3NO3
Exact Mass 387.202128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5PoajVe5cA9
Name L-Valine, N-(2-trifluoromethylbenzoyl)-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.202128252 u
Formula C20H28F3NO3
InChI InChI=1S/C20H28F3NO3/c1-4-5-6-7-10-13-27-19(26)17(14(2)3)24-18(25)15-11-8-9-12-16(15)20(21,22)23/h8-9,11-12,14,17H,4-7,10,13H2,1-3H3,(H,24,25)
InChIKey ZRQHMBVDEXIITO-UHFFFAOYSA-N
Molecular Weight 387.443 g/mol
SMILES C1=CC=CC(=C1C(F)(F)F)C(NC(C(C)C)C(=O)OCCCCCCC)=O