| SpectraBase Compound ID | 2YnfS3GuMWq |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-3-10-17-11(14)8-6-5-7-9-13-12(15)16-4-2/h3-10H2,1-2H3,(H,13,15) |
| InChIKey | NBJXJLJTMOWJNE-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C12H23NO4 |
| Exact Mass | 245.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ILhsE2Yg4m5 |
|---|---|
| Name | 6-Aminocaproic acid, N-ethoxycarbonyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.162708221 u |
| Formula | C12H23NO4 |
| InChI | InChI=1S/C12H23NO4/c1-3-10-17-11(14)8-6-5-7-9-13-12(15)16-4-2/h3-10H2,1-2H3,(H,13,15) |
| InChIKey | NBJXJLJTMOWJNE-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | CCOC(NCCCCCC(OCCC)=O)=O |