| SpectraBase Compound ID | K4ywYcDVz93 |
|---|---|
| InChI | InChI=1S/C14H23NO4/c1-3-5-6-7-8-12-18-13(16)9-10-15-14(17)19-11-4-2/h2H,3,5-12H2,1H3,(H,15,17) |
| InChIKey | XFBGDYWZGFOTFL-UHFFFAOYSA-N |
| Mol Weight | 269.34 g/mol |
| Molecular Formula | C14H23NO4 |
| Exact Mass | 269.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 35QAbPGsvql |
|---|---|
| Name | .beta.-Alanine, N-propargyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.162708221 u |
| Formula | C14H23NO4 |
| InChI | InChI=1S/C14H23NO4/c1-3-5-6-7-8-12-18-13(16)9-10-15-14(17)19-11-4-2/h2H,3,5-12H2,1H3,(H,15,17) |
| InChIKey | XFBGDYWZGFOTFL-UHFFFAOYSA-N |
| Molecular Weight | 269.341 g/mol |
| SMILES | C#CCOC(NCCC(OCCCCCCC)=O)=O |