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dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester
SpectraBase Compound ID JEBBNgG6uEX
InChI InChI=1S/C27H53NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-22-31-26(29)24(4)28(5)27(30)32-23-25(8-3)21-10-7-2/h24-25H,6-23H2,1-5H3
InChIKey LMBZGTWDZUFXTE-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C27H53NO4
Exact Mass 455.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZJ9sDldFdj
Name dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/c1-6-9-11-12-13-14-15-16-17-18-19-20-22-31-26(29)24(4)28(5)27(30)32-23-25(8-3)21-10-7-2/h24-25H,6-23H2,1-5H3
InChIKey LMBZGTWDZUFXTE-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCCCCCC