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L-Leucine, N-(2-furoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-furoyl)-, heptadecyl ester
SpectraBase Compound ID FIMtueknjVP
InChI InChI=1S/C28H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-28(31)25(23-24(2)3)29-27(30)26-20-19-22-32-26/h19-20,22,24-25H,4-18,21,23H2,1-3H3,(H,29,30)
InChIKey GIEAQCUJVJXMJI-UHFFFAOYSA-N
Mol Weight 463.7 g/mol
Molecular Formula C28H49NO4
Exact Mass 463.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUQbNf6bRTI
Name L-Leucine, N-(2-furoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 463.366159058 u
Formula C28H49NO4
InChI InChI=1S/C28H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-33-28(31)25(23-24(2)3)29-27(30)26-20-19-22-32-26/h19-20,22,24-25H,4-18,21,23H2,1-3H3,(H,29,30)
InChIKey GIEAQCUJVJXMJI-UHFFFAOYSA-N
Molecular Weight 463.703 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(NC(C=1OC=CC1)=O)CC(C)C)=O