| SpectraBase Compound ID | BVpWhLMjP4S |
|---|---|
| InChI | InChI=1S/C21H39NO3/c1-6-7-8-9-10-11-12-13-14-15-25-21(24)20(18(4)5)22-19(23)16-17(2)3/h16,18,20H,6-15H2,1-5H3,(H,22,23) |
| InChIKey | ZQOMAZTXTZWBCG-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 | 4tRjuVNzK4g |
|---|---|
| Name | L-Valine, N-(3-methylbut-2-enoyl)-, undecyl 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/c1-6-7-8-9-10-11-12-13-14-15-25-21(24)20(18(4)5)22-19(23)16-17(2)3/h16,18,20H,6-15H2,1-5H3,(H,22,23) |
| InChIKey | ZQOMAZTXTZWBCG-UHFFFAOYSA-N |
| Molecular Weight | 353.547 g/mol |
| SMILES | C(C(C)C)(C(=O)OCCCCCCCCCCC)NC(=O)C=C(C)C |