| SpectraBase Compound ID | CA9xaML5aOn |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-5-7-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22(4)21(24)26-17-8-6-2/h19H,5-18H2,1-4H3 |
| InChIKey | PLFGSKGRBQIYDS-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO4 |
| Exact Mass | 371.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CE9S0BNbNDM |
|---|---|
| Name | Alanine, N-methyl-N-butoxycarbonyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.303558800 u |
| Formula | C21H41NO4 |
| InChI | InChI=1S/C21H41NO4/c1-5-7-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22(4)21(24)26-17-8-6-2/h19H,5-18H2,1-4H3 |
| InChIKey | PLFGSKGRBQIYDS-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | CCCCOC(N(C(C(OCCCCCCCCCCCC)=O)C)C)=O |