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

View entire compound with spectra: 1 NMR

L-Valine, N-(3-trifluoromethylbenzoyl)-, hexyl ester
SpectraBase Compound ID BXGG4cVXtbO
InChI InChI=1S/C19H26F3NO3/c1-4-5-6-7-11-26-18(25)16(13(2)3)23-17(24)14-9-8-10-15(12-14)19(20,21)22/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,23,24)
InChIKey PSVJMVJIXOGTAB-UHFFFAOYSA-N
Mol Weight 373.42 g/mol
Molecular Formula C19H26F3NO3
Exact Mass 373.186478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60Vj9cJp9HO
Name L-Valine, N-(3-trifluoromethylbenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.186478187 u
Formula C19H26F3NO3
InChI InChI=1S/C19H26F3NO3/c1-4-5-6-7-11-26-18(25)16(13(2)3)23-17(24)14-9-8-10-15(12-14)19(20,21)22/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,23,24)
InChIKey PSVJMVJIXOGTAB-UHFFFAOYSA-N
Molecular Weight 373.416 g/mol
SMILES C1(=CC=CC(=C1)C(NC(C(C)C)C(OCCCCCC)=O)=O)C(F)(F)F