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L-Leucine, N-pentafluorobenzoyl-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-pentafluorobenzoyl-, hexadecyl ester
SpectraBase Compound ID EqfK4f65A7q
InChI InChI=1S/C29H44F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-38-29(37)21(19-20(2)3)35-28(36)22-23(30)25(32)27(34)26(33)24(22)31/h20-21H,4-19H2,1-3H3,(H,35,36)
InChIKey PNBAGGGCWBMRAU-UHFFFAOYSA-N
Mol Weight 549.7 g/mol
Molecular Formula C29H44F5NO3
Exact Mass 549.324135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNE3LlARC0o
Name L-Leucine, N-pentafluorobenzoyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 549.324135093 u
Formula C29H44F5NO3
InChI InChI=1S/C29H44F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-38-29(37)21(19-20(2)3)35-28(36)22-23(30)25(32)27(34)26(33)24(22)31/h20-21H,4-19H2,1-3H3,(H,35,36)
InChIKey PNBAGGGCWBMRAU-UHFFFAOYSA-N
Molecular Weight 549.667 g/mol
SMILES C1(=C(C(=C(C(=C1C(NC(C(OCCCCCCCCCCCCCCCC)=O)CC(C)C)=O)F)F)F)F)F