| SpectraBase Compound ID | J5mseEKQ2eY |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-3-10-17-12(15)8-6-5-7-9-14-13(16)18-11-4-2/h3-11H2,1-2H3,(H,14,16) |
| InChIKey | BXSDWVWWVXPKRH-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 | IxkltqUekC2 |
|---|---|
| Name | 6-Aminocaproic acid, N-propoxycarbonyl-, propyl 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/c1-3-10-17-12(15)8-6-5-7-9-14-13(16)18-11-4-2/h3-11H2,1-2H3,(H,14,16) |
| InChIKey | BXSDWVWWVXPKRH-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CCCOC(NCCCCCC(OCCC)=O)=O |