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D-Allylglycine, N-propoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-propoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 9kvkzFNv6Yr
InChI InChI=1S/C24H45NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23(26)22(19-5-2)25-24(27)29-20-6-3/h5,22H,2,4,6-21H2,1,3H3,(H,25,27)
InChIKey UKKQHEMFWVHIGF-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 IXpU1CHkR9x
Name D-Allylglycine, N-propoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.334858929 u
Formula C24H45NO4
InChI InChI=1S/C24H45NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23(26)22(19-5-2)25-24(27)29-20-6-3/h5,22H,2,4,6-21H2,1,3H3,(H,25,27)
InChIKey UKKQHEMFWVHIGF-UHFFFAOYSA-N
Molecular Weight 411.627 g/mol
SMILES C(CCCCCCCOC(C(NC(=O)OCCC)CC=C)=O)CCCCCCC