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L-Allylglycine, N-isobutoxycarbonyl-, heptadecyl ester

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

L-Allylglycine, N-isobutoxycarbonyl-, heptadecyl ester
SpectraBase Compound ID EsfcU5Mta0i
InChI InChI=1S/C27H51NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-26(29)25(21-6-2)28-27(30)32-23-24(3)4/h6,24-25H,2,5,7-23H2,1,3-4H3,(H,28,30)
InChIKey ORVAUGLMNJUKBS-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 5Tc8bObNVG2
Name L-Allylglycine, N-isobutoxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.381809122 u
Formula C27H51NO4
InChI InChI=1S/C27H51NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-26(29)25(21-6-2)28-27(30)32-23-24(3)4/h6,24-25H,2,5,7-23H2,1,3-4H3,(H,28,30)
InChIKey ORVAUGLMNJUKBS-UHFFFAOYSA-N
Molecular Weight 453.708 g/mol
SMILES C(CCCCCCCCOC(C(NC(OCC(C)C)=O)CC=C)=O)CCCCCCCC