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L-Leucine, N-pentafluorobenzoyl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-pentafluorobenzoyl-, dodecyl ester
SpectraBase Compound ID GAQx8nRB7J3
InChI InChI=1S/C25H36F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-34-25(33)17(15-16(2)3)31-24(32)18-19(26)21(28)23(30)22(29)20(18)27/h16-17H,4-15H2,1-3H3,(H,31,32)
InChIKey KUZANHSHIUNMTC-UHFFFAOYSA-N
Mol Weight 493.6 g/mol
Molecular Formula C25H36F5NO3
Exact Mass 493.261535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2qizaC9Sgs
Name L-Leucine, N-pentafluorobenzoyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 493.261534835 u
Formula C25H36F5NO3
InChI InChI=1S/C25H36F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-34-25(33)17(15-16(2)3)31-24(32)18-19(26)21(28)23(30)22(29)20(18)27/h16-17H,4-15H2,1-3H3,(H,31,32)
InChIKey KUZANHSHIUNMTC-UHFFFAOYSA-N
Molecular Weight 493.559 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(C(OCCCCCCCCCCCC)=O)CC(C)C)=O)F)F)F)F)F