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dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, dodecyl ester
SpectraBase Compound ID E9P8uxlEgFB
InChI InChI=1S/C25H49NO4/c1-6-9-11-12-13-14-15-16-17-18-20-29-24(27)22(4)26(5)25(28)30-21-23(8-3)19-10-7-2/h22-23H,6-21H2,1-5H3
InChIKey GVANWNOWQOTEGZ-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6a8eAXEw0xv
Name dl-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-6-9-11-12-13-14-15-16-17-18-20-29-24(27)22(4)26(5)25(28)30-21-23(8-3)19-10-7-2/h22-23H,6-21H2,1-5H3
InChIKey GVANWNOWQOTEGZ-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES CC(N(C)C(=O)OCC(CCCC)CC)C(=O)OCCCCCCCCCCCC