| SpectraBase Compound ID | 1kntLz2Wdub |
|---|---|
| InChI | InChI=1S/C21H41NO3/c1-3-5-7-8-9-10-11-12-13-15-19-25-21(24)17-18-22-20(23)16-14-6-4-2/h3-19H2,1-2H3,(H,22,23) |
| InChIKey | IMSGXGLJUNOYDQ-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 | AdEqMyt3wuQ |
|---|---|
| Name | .beta.-Alanine, N-caproyl-, dodecyl 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/c1-3-5-7-8-9-10-11-12-13-15-19-25-21(24)17-18-22-20(23)16-14-6-4-2/h3-19H2,1-2H3,(H,22,23) |
| InChIKey | IMSGXGLJUNOYDQ-UHFFFAOYSA-N |
| Molecular Weight | 355.563 g/mol |
| SMILES | CCCCCC(NCCC(OCCCCCCCCCCCC)=O)=O |