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L-Leucine, N-pentafluorobenzoyl-, tetradecyl ester
SpectraBase Compound ID 94fcdNfEUve
InChI InChI=1S/C27H40F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-36-27(35)19(17-18(2)3)33-26(34)20-21(28)23(30)25(32)24(31)22(20)29/h18-19H,4-17H2,1-3H3,(H,33,34)
InChIKey ZGYJNXNJIXQYLY-UHFFFAOYSA-N
Mol Weight 521.6 g/mol
Molecular Formula C27H40F5NO3
Exact Mass 521.292835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZzO8PoGnz0
Name L-Leucine, N-pentafluorobenzoyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 521.292834964 u
Formula C27H40F5NO3
InChI InChI=1S/C27H40F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-36-27(35)19(17-18(2)3)33-26(34)20-21(28)23(30)25(32)24(31)22(20)29/h18-19H,4-17H2,1-3H3,(H,33,34)
InChIKey ZGYJNXNJIXQYLY-UHFFFAOYSA-N
Molecular Weight 521.613 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(C(OCCCCCCCCCCCCCC)=O)CC(C)C)=O)F)F)F)F)F