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L-Allylglycine, N-isobutoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Allylglycine, N-isobutoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID ABItkqTm22j
InChI InChI=1S/C25H47NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-29-24(27)23(19-6-2)26-25(28)30-21-22(3)4/h6,22-23H,2,5,7-21H2,1,3-4H3,(H,26,28)
InChIKey XWTPIQREWUEGLM-UHFFFAOYSA-N
Mol Weight 425.7 g/mol
Molecular Formula C25H47NO4
Exact Mass 425.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNhRwQOxYaG
Name L-Allylglycine, N-isobutoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.350508993 u
Formula C25H47NO4
InChI InChI=1S/C25H47NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-29-24(27)23(19-6-2)26-25(28)30-21-22(3)4/h6,22-23H,2,5,7-21H2,1,3-4H3,(H,26,28)
InChIKey XWTPIQREWUEGLM-UHFFFAOYSA-N
Molecular Weight 425.654 g/mol
SMILES C(C(NC(OCC(C)C)=O)C(=O)OCCCCCCCCCCCCCCC)C=C