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

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L-Valine, N-(3-trifluoromethylbenzoyl)-, tridecyl ester
SpectraBase Compound ID B132ArkyoAA
InChI InChI=1S/C26H40F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-18-33-25(32)23(20(2)3)30-24(31)21-16-15-17-22(19-21)26(27,28)29/h15-17,19-20,23H,4-14,18H2,1-3H3,(H,30,31)
InChIKey ZHYWZHHBWGYEPW-UHFFFAOYSA-N
Mol Weight 471.6 g/mol
Molecular Formula C26H40F3NO3
Exact Mass 471.296029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 274KB6lKHwl
Name L-Valine, N-(3-trifluoromethylbenzoyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 471.296028638 u
Formula C26H40F3NO3
InChI InChI=1S/C26H40F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-18-33-25(32)23(20(2)3)30-24(31)21-16-15-17-22(19-21)26(27,28)29/h15-17,19-20,23H,4-14,18H2,1-3H3,(H,30,31)
InChIKey ZHYWZHHBWGYEPW-UHFFFAOYSA-N
Molecular Weight 471.605 g/mol
SMILES C(C1=CC=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCC)=O)(F)(F)F