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dl-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, tetradecyl ester

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dl-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, tetradecyl ester
SpectraBase Compound ID FmbjbH7rGW0
InChI InChI=1S/C22H42ClNO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-27-21(25)20(2)24(3)22(26)28-19-16-17-23/h20H,4-19H2,1-3H3
InChIKey VEABIJQMWXVRMH-UHFFFAOYSA-N
Mol Weight 420.0 g/mol
Molecular Formula C22H42ClNO4
Exact Mass 419.280237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWyzmk2yoMG
Name dl-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.280236532 u
Formula C22H42ClNO4
InChI InChI=1S/C22H42ClNO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-27-21(25)20(2)24(3)22(26)28-19-16-17-23/h20H,4-19H2,1-3H3
InChIKey VEABIJQMWXVRMH-UHFFFAOYSA-N
Molecular Weight 420.034 g/mol
SMILES CC(N(C)C(=O)OCCCCl)C(=O)OCCCCCCCCCCCCCC