| SpectraBase Compound ID | IlQTU2vLSoT |
|---|---|
| InChI | InChI=1S/C20H39NO3/c1-4-6-8-10-11-13-15-17-24-20(23)18(3)21-19(22)16-14-12-9-7-5-2/h18H,4-17H2,1-3H3,(H,21,22) |
| InChIKey | XWWNPRPKNHGHQE-UHFFFAOYSA-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 | 4FzaIq5cBJD |
|---|---|
| Name | L-Alanine, N-octanoyl-, nonyl 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/c1-4-6-8-10-11-13-15-17-24-20(23)18(3)21-19(22)16-14-12-9-7-5-2/h18H,4-17H2,1-3H3,(H,21,22) |
| InChIKey | XWWNPRPKNHGHQE-UHFFFAOYSA-N |
| Molecular Weight | 341.536 g/mol |
| SMILES | CCCCCCCC(NC(C)C(OCCCCCCCCC)=O)=O |