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dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester
SpectraBase Compound ID 6QhmJtacg6G
InChI InChI=1S/C23H45NO4/c1-6-9-11-12-13-14-15-16-18-27-22(25)20(4)24(5)23(26)28-19-21(8-3)17-10-7-2/h20-21H,6-19H2,1-5H3
InChIKey NIRGVZZSCXXUCQ-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C23H45NO4
Exact Mass 399.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDGNcw13KGB
Name dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.334858929 u
Formula C23H45NO4
InChI InChI=1S/C23H45NO4/c1-6-9-11-12-13-14-15-16-18-27-22(25)20(4)24(5)23(26)28-19-21(8-3)17-10-7-2/h20-21H,6-19H2,1-5H3
InChIKey NIRGVZZSCXXUCQ-UHFFFAOYSA-N
Molecular Weight 399.616 g/mol
SMILES CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCC