| SpectraBase Compound ID | DxxzLP6LaJp |
|---|---|
| InChI | InChI=1S/C13H25NO5/c1-3-4-5-6-9-18-12(15)7-8-14-13(16)19-11-10-17-2/h3-11H2,1-2H3,(H,14,16) |
| InChIKey | DQJNGUAMVBOBJI-UHFFFAOYSA-N |
| Mol Weight | 275.34 g/mol |
| Molecular Formula | C13H25NO5 |
| Exact Mass | 275.173273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATNaXKOBY4e |
|---|---|
| Name | .beta.-Alanine, N-(2-methoxyethoxycarbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.173272904 u |
| Formula | C13H25NO5 |
| InChI | InChI=1S/C13H25NO5/c1-3-4-5-6-9-18-12(15)7-8-14-13(16)19-11-10-17-2/h3-11H2,1-2H3,(H,14,16) |
| InChIKey | DQJNGUAMVBOBJI-UHFFFAOYSA-N |
| Molecular Weight | 275.345 g/mol |
| SMILES | COCCOC(NCCC(OCCCCCC)=O)=O |