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L-Leucine, N-(2-methoxyethoxycarbonyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-methoxyethoxycarbonyl)-, pentadecyl ester
SpectraBase Compound ID FpAHXVkck7m
InChI InChI=1S/C25H49NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-24(27)23(21-22(2)3)26-25(28)31-20-19-29-4/h22-23H,5-21H2,1-4H3,(H,26,28)
InChIKey OXSCPQTUWLECEZ-UHFFFAOYSA-N
Mol Weight 443.7 g/mol
Molecular Formula C25H49NO5
Exact Mass 443.361074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20eXJsjgaWt
Name L-Leucine, N-(2-methoxyethoxycarbonyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 443.361073677 u
Formula C25H49NO5
InChI InChI=1S/C25H49NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-24(27)23(21-22(2)3)26-25(28)31-20-19-29-4/h22-23H,5-21H2,1-4H3,(H,26,28)
InChIKey OXSCPQTUWLECEZ-UHFFFAOYSA-N
Molecular Weight 443.669 g/mol
SMILES COCCOC(NC(C(OCCCCCCCCCCCCCCC)=O)CC(C)C)=O