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

View entire compound with spectra: 1 NMR

dl-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, undecyl ester
SpectraBase Compound ID CGOTUb7hSY0
InChI InChI=1S/C25H41NO5/c1-4-5-6-7-8-9-10-11-15-18-30-24(27)22(2)26(3)25(28)31-20-19-29-21-23-16-13-12-14-17-23/h12-14,16-17,22H,4-11,15,18-21H2,1-3H3
InChIKey KJSYYUFUYSKMCD-UHFFFAOYSA-N
Mol Weight 435.6 g/mol
Molecular Formula C25H41NO5
Exact Mass 435.298473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHI7SNmO4t4
Name dl-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 435.298473419 u
Formula C25H41NO5
InChI InChI=1S/C25H41NO5/c1-4-5-6-7-8-9-10-11-15-18-30-24(27)22(2)26(3)25(28)31-20-19-29-21-23-16-13-12-14-17-23/h12-14,16-17,22H,4-11,15,18-21H2,1-3H3
InChIKey KJSYYUFUYSKMCD-UHFFFAOYSA-N
Molecular Weight 435.605 g/mol
SMILES CC(N(C)C(=O)OCCOCC1=CC=CC=C1)C(=O)OCCCCCCCCCCC