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

View entire compound with spectra: 1 NMR

dl-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, octyl ester
SpectraBase Compound ID 6dNslNGBvLs
InChI InChI=1S/C22H35NO5/c1-4-5-6-7-8-12-15-27-21(24)19(2)23(3)22(25)28-17-16-26-18-20-13-10-9-11-14-20/h9-11,13-14,19H,4-8,12,15-18H2,1-3H3
InChIKey UZVZALCXDBSKSZ-UHFFFAOYSA-N
Mol Weight 393.5 g/mol
Molecular Formula C22H35NO5
Exact Mass 393.251523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WjA7h0VQJQ
Name dl-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.251523226 u
Formula C22H35NO5
InChI InChI=1S/C22H35NO5/c1-4-5-6-7-8-12-15-27-21(24)19(2)23(3)22(25)28-17-16-26-18-20-13-10-9-11-14-20/h9-11,13-14,19H,4-8,12,15-18H2,1-3H3
InChIKey UZVZALCXDBSKSZ-UHFFFAOYSA-N
Molecular Weight 393.524 g/mol
SMILES CC(N(C)C(=O)OCCOCC1=CC=CC=C1)C(=O)OCCCCCCCC