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

View entire compound with spectra: 1 NMR

L-Valine, N-(3-trifluoromethylbenzoyl)-, nonyl ester
SpectraBase Compound ID 6izbokPsz6A
InChI InChI=1S/C22H32F3NO3/c1-4-5-6-7-8-9-10-14-29-21(28)19(16(2)3)26-20(27)17-12-11-13-18(15-17)22(23,24)25/h11-13,15-16,19H,4-10,14H2,1-3H3,(H,26,27)
InChIKey RNWMXMVFTXUHIU-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 KexHSUNzuqF
Name L-Valine, N-(3-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/c1-4-5-6-7-8-9-10-14-29-21(28)19(16(2)3)26-20(27)17-12-11-13-18(15-17)22(23,24)25/h11-13,15-16,19H,4-10,14H2,1-3H3,(H,26,27)
InChIKey RNWMXMVFTXUHIU-UHFFFAOYSA-N
Molecular Weight 415.497 g/mol
SMILES C1(=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCC)=O)C(F)(F)F