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dl-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, heptyl ester

View entire compound with spectra: 1 NMR

dl-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, heptyl ester
SpectraBase Compound ID 4BdFJecmsPR
InChI InChI=1S/C21H33NO5/c1-4-5-6-7-11-14-26-20(23)18(2)22(3)21(24)27-16-15-25-17-19-12-9-8-10-13-19/h8-10,12-13,18H,4-7,11,14-17H2,1-3H3
InChIKey CKCABGZBAOYKBV-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C21H33NO5
Exact Mass 379.235873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sog8XkVFov
Name dl-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.235873162 u
Formula C21H33NO5
InChI InChI=1S/C21H33NO5/c1-4-5-6-7-11-14-26-20(23)18(2)22(3)21(24)27-16-15-25-17-19-12-9-8-10-13-19/h8-10,12-13,18H,4-7,11,14-17H2,1-3H3
InChIKey CKCABGZBAOYKBV-UHFFFAOYSA-N
Molecular Weight 379.497 g/mol
SMILES CC(N(C)C(=O)OCCOCC1=CC=CC=C1)C(=O)OCCCCCCC