| SpectraBase Compound ID | 7H1p0QIcetL |
|---|---|
| InChI | InChI=1S/C20H39NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18(2)20(23)24-3/h18H,4-17H2,1-3H3,(H,21,22)/t18-/m0/s1 |
| InChIKey | IVLXYGOYTKEICS-SFHVURJKSA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C20H39NO3 |
| Exact Mass | 341.292994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sefrtJzzcC |
|---|---|
| Name | (S)-N-(Hexadecanoyl)alanine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.292994117 u |
| Formula | C20H39NO3 |
| InChI | InChI=1S/C20H39NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18(2)20(23)24-3/h18H,4-17H2,1-3H3,(H,21,22)/t18-/m0/s1 |
| InChIKey | IVLXYGOYTKEICS-SFHVURJKSA-N |
| Molecular Weight | 341.536 g/mol |
| SMILES | C([C@@](NC(CCCCCCCCCCCCCCC)=O)(C)[H])(=O)OC |