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L-Alanine, N-(4-ethylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Alanine, N-(4-ethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID JCY4dJdkySS
InChI InChI=1S/C24H39NO3/c1-4-6-7-8-9-10-11-12-13-14-19-28-24(27)20(3)25-23(26)22-17-15-21(5-2)16-18-22/h15-18,20H,4-14,19H2,1-3H3,(H,25,26)
InChIKey WDMIBDXWSLHAIR-UHFFFAOYSA-N
Mol Weight 389.6 g/mol
Molecular Formula C24H39NO3
Exact Mass 389.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LkHwDXsl58E
Name L-Alanine, N-(4-ethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.292994117 u
Formula C24H39NO3
InChI InChI=1S/C24H39NO3/c1-4-6-7-8-9-10-11-12-13-14-19-28-24(27)20(3)25-23(26)22-17-15-21(5-2)16-18-22/h15-18,20H,4-14,19H2,1-3H3,(H,25,26)
InChIKey WDMIBDXWSLHAIR-UHFFFAOYSA-N
Molecular Weight 389.580 g/mol
SMILES C1=CC(=CC=C1C(NC(C(OCCCCCCCCCCCC)=O)C)=O)CC