| SpectraBase Compound ID | tHT9aGyMzl |
|---|---|
| InChI | InChI=1S/C12H19NO4/c1-3-5-6-10-16-11(14)7-8-13-12(15)17-9-4-2/h2H,3,5-10H2,1H3,(H,13,15) |
| InChIKey | SHDNEVKUCDLKJA-UHFFFAOYSA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C12H19NO4 |
| Exact Mass | 241.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4kzS8PGMXqB |
|---|---|
| Name | .beta.-Alanine, N-propargyloxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.131408092 u |
| Formula | C12H19NO4 |
| InChI | InChI=1S/C12H19NO4/c1-3-5-6-10-16-11(14)7-8-13-12(15)17-9-4-2/h2H,3,5-10H2,1H3,(H,13,15) |
| InChIKey | SHDNEVKUCDLKJA-UHFFFAOYSA-N |
| Molecular Weight | 241.287 g/mol |
| SMILES | C#CCOC(NCCC(OCCCCC)=O)=O |