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D-Allylglycine, N-benzyloxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

D-Allylglycine, N-benzyloxycarbonyl-, heptyl ester
SpectraBase Compound ID 4x5d3KvqBhF
InChI InChI=1S/C20H29NO4/c1-3-5-6-7-11-15-24-19(22)18(12-4-2)21-20(23)25-16-17-13-9-8-10-14-17/h4,8-10,13-14,18H,2-3,5-7,11-12,15-16H2,1H3,(H,21,23)
InChIKey HIBPOMSDRKGKMU-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qFi7N43VZ0
Name D-Allylglycine, N-benzyloxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-3-5-6-7-11-15-24-19(22)18(12-4-2)21-20(23)25-16-17-13-9-8-10-14-17/h4,8-10,13-14,18H,2-3,5-7,11-12,15-16H2,1H3,(H,21,23)
InChIKey HIBPOMSDRKGKMU-UHFFFAOYSA-N
Molecular Weight 347.455 g/mol
SMILES C(NC(OCC1=CC=CC=C1)=O)(C(=O)OCCCCCCC)CC=C