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L-Leucine, N-pentafluorobenzoyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-pentafluorobenzoyl-, pentadecyl ester
SpectraBase Compound ID xdrbV20aRr
InChI InChI=1S/C28H42F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37-28(36)20(18-19(2)3)34-27(35)21-22(29)24(31)26(33)25(32)23(21)30/h19-20H,4-18H2,1-3H3,(H,34,35)
InChIKey GYIBQMYSUMQQCJ-UHFFFAOYSA-N
Mol Weight 535.6 g/mol
Molecular Formula C28H42F5NO3
Exact Mass 535.308485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBEGrLsbVe6
Name L-Leucine, N-pentafluorobenzoyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 535.308485028 u
Formula C28H42F5NO3
InChI InChI=1S/C28H42F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37-28(36)20(18-19(2)3)34-27(35)21-22(29)24(31)26(33)25(32)23(21)30/h19-20H,4-18H2,1-3H3,(H,34,35)
InChIKey GYIBQMYSUMQQCJ-UHFFFAOYSA-N
Molecular Weight 535.640 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(C(OCCCCCCCCCCCCCCC)=O)CC(C)C)=O)F)F)F)F)F