| SpectraBase Compound ID | I6XVBj9hlMi |
|---|---|
| InChI | InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(24)18(2)22-20(23)19-15-12-13-16-19/h18-19H,3-17H2,1-2H3,(H,22,23) |
| InChIKey | FNYFDNHOEQEYSR-UHFFFAOYSA-N |
| Mol Weight | 353.5 g/mol |
| Molecular Formula | C21H39NO3 |
| Exact Mass | 353.292994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Ac77fAeTvf |
|---|---|
| Name | L-Alanine, N-(cyclopentylcarbonyl)-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.292994117 u |
| Formula | C21H39NO3 |
| InChI | InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(24)18(2)22-20(23)19-15-12-13-16-19/h18-19H,3-17H2,1-2H3,(H,22,23) |
| InChIKey | FNYFDNHOEQEYSR-UHFFFAOYSA-N |
| Molecular Weight | 353.547 g/mol |
| SMILES | C1CCCC1C(=O)NC(C(OCCCCCCCCCCCC)=O)C |