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L-Allylglycine, N-neopentyloxycarbonyl-, hexadecyl ester

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

L-Allylglycine, N-neopentyloxycarbonyl-, hexadecyl ester
SpectraBase Compound ID 6BfMgPRkrpt
InChI InChI=1S/C27H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-25(29)24(21-7-2)28-26(30)32-23-27(3,4)5/h7,24H,2,6,8-23H2,1,3-5H3,(H,28,30)
InChIKey LKBAOHSSBAGPMI-UHFFFAOYSA-N
Mol Weight 453.7 g/mol
Molecular Formula C27H51NO4
Exact Mass 453.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RPpmyqLcXo
Name L-Allylglycine, N-neopentyloxycarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.381809122 u
Formula C27H51NO4
InChI InChI=1S/C27H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-25(29)24(21-7-2)28-26(30)32-23-27(3,4)5/h7,24H,2,6,8-23H2,1,3-5H3,(H,28,30)
InChIKey LKBAOHSSBAGPMI-UHFFFAOYSA-N
Molecular Weight 453.708 g/mol
SMILES C(CCCCCCOC(C(NC(OCC(C)(C)C)=O)CC=C)=O)CCCCCCCCC