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

View entire compound with spectra: 1 NMR

L-Valine, N-(2-trifluoromethylbenzoyl)-, nonyl ester
SpectraBase Compound ID BmzM16mmF98
InChI InChI=1S/C22H32F3NO3/c1-4-5-6-7-8-9-12-15-29-21(28)19(16(2)3)26-20(27)17-13-10-11-14-18(17)22(23,24)25/h10-11,13-14,16,19H,4-9,12,15H2,1-3H3,(H,26,27)
InChIKey VSUOTDUWQBPFHH-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H32F3NO3
Exact Mass 415.233428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2KysUwp20A
Name L-Valine, N-(2-trifluoromethylbenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.233428380 u
Formula C22H32F3NO3
InChI InChI=1S/C22H32F3NO3/c1-4-5-6-7-8-9-12-15-29-21(28)19(16(2)3)26-20(27)17-13-10-11-14-18(17)22(23,24)25/h10-11,13-14,16,19H,4-9,12,15H2,1-3H3,(H,26,27)
InChIKey VSUOTDUWQBPFHH-UHFFFAOYSA-N
Molecular Weight 415.497 g/mol
SMILES C1(=C(C=CC=C1)C(NC(C(C)C)C(=O)OCCCCCCCCC)=O)C(F)(F)F