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D-Alanine, N-(4-anisoyl)-, tridecyl ester

View entire compound with spectra: 1 NMR

D-Alanine, N-(4-anisoyl)-, tridecyl ester
SpectraBase Compound ID C35uLGjyFYh
InChI InChI=1S/C24H39NO4/c1-4-5-6-7-8-9-10-11-12-13-14-19-29-24(27)20(2)25-23(26)21-15-17-22(28-3)18-16-21/h15-18,20H,4-14,19H2,1-3H3,(H,25,26)
InChIKey GOUMANAZIBHHCT-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H39NO4
Exact Mass 405.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGp2ZCDFyMT
Name D-Alanine, N-(4-anisoyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-4-5-6-7-8-9-10-11-12-13-14-19-29-24(27)20(2)25-23(26)21-15-17-22(28-3)18-16-21/h15-18,20H,4-14,19H2,1-3H3,(H,25,26)
InChIKey GOUMANAZIBHHCT-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCCCCCCCCCCC)=O)C