| SpectraBase Compound ID | EaH5s2rvXnP |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-3-5-11-18-12(15)9-7-6-8-10-14-13(16)17-4-2/h3-11H2,1-2H3,(H,14,16) |
| InChIKey | LEKGOFNAAFCJLF-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 | BagSW5CkiM8 |
|---|---|
| Name | 6-Aminocaproic acid, N-ethoxycarbonyl-, 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/c1-3-5-11-18-12(15)9-7-6-8-10-14-13(16)17-4-2/h3-11H2,1-2H3,(H,14,16) |
| InChIKey | LEKGOFNAAFCJLF-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CCOC(NCCCCCC(OCCCC)=O)=O |