| SpectraBase Compound ID | 7Ytr4qlix4d |
|---|---|
| InChI | InChI=1S/C15H27NO6/c1-4-20-13(17)7-10-16(11-8-14(18)21-5-2)12-9-15(19)22-6-3/h4-12H2,1-3H3 |
| InChIKey | DQAUEQBDYUQDRY-UHFFFAOYSA-N |
| Mol Weight | 317.38 g/mol |
| Molecular Formula | C15H27NO6 |
| Exact Mass | 317.183838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59AO9TD7T44 |
|---|---|
| Name | .beta.-Alanine, N,N-bis(3-ethoxy-3-oxopropyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.183837587 u |
| Formula | C15H27NO6 |
| InChI | InChI=1S/C15H27NO6/c1-4-20-13(17)7-10-16(11-8-14(18)21-5-2)12-9-15(19)22-6-3/h4-12H2,1-3H3 |
| InChIKey | DQAUEQBDYUQDRY-UHFFFAOYSA-N |
| Molecular Weight | 317.382 g/mol |
| SMILES | CCOC(CCN(CCC(OCC)=O)CCC(OCC)=O)=O |