| SpectraBase Compound ID | Lojbo3SDFYk |
|---|---|
| InChI | InChI=1S/C11H19NO4/c1-8(13)12(9(2)14)7-6-10(15)16-11(3,4)5/h6-7H2,1-5H3 |
| InChIKey | VUWVVEZCWRAQEO-UHFFFAOYSA-N |
| Mol Weight | 229.28 g/mol |
| Molecular Formula | C11H19NO4 |
| Exact Mass | 229.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApHtjdWSxOn |
|---|---|
| Name | H-beta-ala-Otbu, 2ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.131408092 u |
| Formula | C11H19NO4 |
| InChI | InChI=1S/C11H19NO4/c1-8(13)12(9(2)14)7-6-10(15)16-11(3,4)5/h6-7H2,1-5H3 |
| InChIKey | VUWVVEZCWRAQEO-UHFFFAOYSA-N |
| Molecular Weight | 229.276 g/mol |
| SMILES | C(CCN(C(C)=O)C(C)=O)(=O)OC(C)(C)C |