| SpectraBase Compound ID | HUFZBLw4twZ |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-4-17-13(16)14-9-7-5-6-8-12(15)18-10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16) |
| InChIKey | XLJPTODCQRPCLJ-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 | 6dTPOppG1Y9 |
|---|---|
| Name | 6-Aminocaproic acid, N-ethoxycarbonyl-, isobutyl 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/c1-4-17-13(16)14-9-7-5-6-8-12(15)18-10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16) |
| InChIKey | XLJPTODCQRPCLJ-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CCOC(NCCCCCC(OCC(C)C)=O)=O |