| SpectraBase Compound ID | 2GRPsH8PnzL |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-5-6-7-17-12(15)8-11(4)14-13(16)18-9-10(2)3/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | VKSIUXKEEFMVNK-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AByrrmcKTzO |
|---|---|
| Name | 3-Aminobutyric acid, N-isobutoxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.178358285 u |
| Formula | C13H25NO4 |
| InChI | InChI=1S/C13H25NO4/c1-5-6-7-17-12(15)8-11(4)14-13(16)18-9-10(2)3/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey | VKSIUXKEEFMVNK-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CC(COC(NC(CC(OCCCC)=O)C)=O)C |