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L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester
SpectraBase Compound ID 7QVty4HxMnI
InChI InChI=1S/C22H31F4NO3/c1-4-5-6-7-8-9-10-14-30-21(29)19(15(2)3)27-20(28)16-12-11-13-17(18(16)23)22(24,25)26/h11-13,15,19H,4-10,14H2,1-3H3,(H,27,28)
InChIKey GPIVSSUUPKVESG-UHFFFAOYSA-N
Mol Weight 433.49 g/mol
Molecular Formula C22H31F4NO3
Exact Mass 433.224007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TwZhu0zlL2
Name L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.224006511 u
Formula C22H31F4NO3
InChI InChI=1S/C22H31F4NO3/c1-4-5-6-7-8-9-10-14-30-21(29)19(15(2)3)27-20(28)16-12-11-13-17(18(16)23)22(24,25)26/h11-13,15,19H,4-10,14H2,1-3H3,(H,27,28)
InChIKey GPIVSSUUPKVESG-UHFFFAOYSA-N
Molecular Weight 433.488 g/mol
SMILES CCCCCCCCCOC(C(NC(=O)C1=CC=CC(=C1F)C(F)(F)F)C(C)C)=O