| SpectraBase Compound ID | rXyn8SLMZ9 |
|---|---|
| InChI | InChI=1S/C21H41NO3/c1-4-6-8-9-10-11-12-13-14-15-16-18-25-21(24)19(3)22-20(23)17-7-5-2/h19H,4-18H2,1-3H3,(H,22,23) |
| InChIKey | LGNBONQIUBCMQA-UHFFFAOYSA-N |
| Mol Weight | 355.6 g/mol |
| Molecular Formula | C21H41NO3 |
| Exact Mass | 355.308644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3g3XcBTBR97 |
|---|---|
| Name | L-Alanine, N-valeryl-, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.308644181 u |
| Formula | C21H41NO3 |
| InChI | InChI=1S/C21H41NO3/c1-4-6-8-9-10-11-12-13-14-15-16-18-25-21(24)19(3)22-20(23)17-7-5-2/h19H,4-18H2,1-3H3,(H,22,23) |
| InChIKey | LGNBONQIUBCMQA-UHFFFAOYSA-N |
| Molecular Weight | 355.563 g/mol |
| SMILES | C(COC(C(NC(=O)CCCC)C)=O)CCCCCCCCCCC |