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L-Leucine, N-heptafluorobutyryl-, tetradecyl ester
SpectraBase Compound ID IkGXBi7lZDw
InChI InChI=1S/C24H40F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-35-20(33)19(17-18(2)3)32-21(34)22(25,26)23(27,28)24(29,30)31/h18-19H,4-17H2,1-3H3,(H,32,34)
InChIKey RCCPXTNXMIRZPF-UHFFFAOYSA-N
Mol Weight 523.6 g/mol
Molecular Formula C24H40F7NO3
Exact Mass 523.289641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID COaYKhdOf8z
Name L-Leucine, N-heptafluorobutyryl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 523.289641290 u
Formula C24H40F7NO3
InChI InChI=1S/C24H40F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-35-20(33)19(17-18(2)3)32-21(34)22(25,26)23(27,28)24(29,30)31/h18-19H,4-17H2,1-3H3,(H,32,34)
InChIKey RCCPXTNXMIRZPF-UHFFFAOYSA-N
Molecular Weight 523.577 g/mol
SMILES CCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O