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L-Leucine, N-pentafluorobenzoyl-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-pentafluorobenzoyl-, octadecyl ester
SpectraBase Compound ID 5xY2ptkvzPT
InChI InChI=1S/C31H48F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40-31(39)23(21-22(2)3)37-30(38)24-25(32)27(34)29(36)28(35)26(24)33/h22-23H,4-21H2,1-3H3,(H,37,38)
InChIKey XYDXVYDNKUSABL-UHFFFAOYSA-N
Mol Weight 577.7 g/mol
Molecular Formula C31H48F5NO3
Exact Mass 577.355435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvO5qt1V5gI
Name L-Leucine, N-pentafluorobenzoyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 577.355435222 u
Formula C31H48F5NO3
InChI InChI=1S/C31H48F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40-31(39)23(21-22(2)3)37-30(38)24-25(32)27(34)29(36)28(35)26(24)33/h22-23H,4-21H2,1-3H3,(H,37,38)
InChIKey XYDXVYDNKUSABL-UHFFFAOYSA-N
Molecular Weight 577.721 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(C(OCCCCCCCCCCCCCCCCCC)=O)CC(C)C)=O)F)F)F)F)F