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L-Allylglycine, N-isobutoxycarbonyl-, octadecyl ester

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

L-Allylglycine, N-isobutoxycarbonyl-, octadecyl ester
SpectraBase Compound ID FlstgSuZqV7
InChI InChI=1S/C28H53NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-27(30)26(22-6-2)29-28(31)33-24-25(3)4/h6,25-26H,2,5,7-24H2,1,3-4H3,(H,29,31)
InChIKey IGSKVXNBYYQNHR-UHFFFAOYSA-N
Mol Weight 467.7 g/mol
Molecular Formula C28H53NO4
Exact Mass 467.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GUyJSCPF7ER
Name L-Allylglycine, N-isobutoxycarbonyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 467.397459187 u
Formula C28H53NO4
InChI InChI=1S/C28H53NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-27(30)26(22-6-2)29-28(31)33-24-25(3)4/h6,25-26H,2,5,7-24H2,1,3-4H3,(H,29,31)
InChIKey IGSKVXNBYYQNHR-UHFFFAOYSA-N
Molecular Weight 467.735 g/mol
SMILES C(CCCCCCCOC(C(NC(OCC(C)C)=O)CC=C)=O)CCCCCCCCCC