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

View entire compound with spectra: 1 NMR

L-Valine, N-(3-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID 4grgXewoDVO
InChI InChI=1S/C23H34F3NO3/c1-4-5-6-7-8-9-10-11-15-30-22(29)20(17(2)3)27-21(28)18-13-12-14-19(16-18)23(24,25)26/h12-14,16-17,20H,4-11,15H2,1-3H3,(H,27,28)
InChIKey JRJUSQVCSOKCOD-UHFFFAOYSA-N
Mol Weight 429.5 g/mol
Molecular Formula C23H34F3NO3
Exact Mass 429.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9g5s0GsLWVL
Name L-Valine, N-(3-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 429.249078445 u
Formula C23H34F3NO3
InChI InChI=1S/C23H34F3NO3/c1-4-5-6-7-8-9-10-11-15-30-22(29)20(17(2)3)27-21(28)18-13-12-14-19(16-18)23(24,25)26/h12-14,16-17,20H,4-11,15H2,1-3H3,(H,27,28)
InChIKey JRJUSQVCSOKCOD-UHFFFAOYSA-N
Molecular Weight 429.524 g/mol
SMILES C(C1=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCC)=O)(F)(F)F