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L-Allylglycine, N-isobutoxycarbonyl-, tetradecyl ester

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

L-Allylglycine, N-isobutoxycarbonyl-, tetradecyl ester
SpectraBase Compound ID LdZ6xHvNJhy
InChI InChI=1S/C24H45NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-28-23(26)22(18-6-2)25-24(27)29-20-21(3)4/h6,21-22H,2,5,7-20H2,1,3-4H3,(H,25,27)
InChIKey CKAKZQCBGVOKQC-UHFFFAOYSA-N
Mol Weight 411.6 g/mol
Molecular Formula C24H45NO4
Exact Mass 411.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TKS5PH3wER
Name L-Allylglycine, N-isobutoxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.334858929 u
Formula C24H45NO4
InChI InChI=1S/C24H45NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-28-23(26)22(18-6-2)25-24(27)29-20-21(3)4/h6,21-22H,2,5,7-20H2,1,3-4H3,(H,25,27)
InChIKey CKAKZQCBGVOKQC-UHFFFAOYSA-N
Molecular Weight 411.627 g/mol
SMILES C(C(NC(OCC(C)C)=O)C(=O)OCCCCCCCCCCCCCC)C=C