| SpectraBase Compound ID | Ea9sd4JZNNy |
|---|---|
| InChI | InChI=1S/C21H41N3O3/c1-2-27-20(26)19(25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24-21(22)23/h2-18H2,1H3,(H4,22,23,24) |
| InChIKey | RLCXLUHDAOENCZ-UHFFFAOYSA-N |
| Mol Weight | 383.6 g/mol |
| Molecular Formula | C21H41N3O3 |
| Exact Mass | 383.314792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SortBt1kEr |
|---|---|
| Name | 18-Amino-2-ketostearic acid, N-amidono, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.314792189 u |
| Formula | C21H41N3O3 |
| InChI | InChI=1S/C21H41N3O3/c1-2-27-20(26)19(25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24-21(22)23/h2-18H2,1H3,(H4,22,23,24) |
| InChIKey | RLCXLUHDAOENCZ-UHFFFAOYSA-N |
| Molecular Weight | 383.577 g/mol |
| SMILES | C(=O)(C(OCC)=O)CCCCCCCCCCCCCCCCNC(=N)N |