| SpectraBase Compound ID | LyIWec4QYjv |
|---|---|
| InChI | InChI=1S/C13H15NO3/c15-12(14-8-2-1-3-9-14)10-4-6-11(7-5-10)13(16)17/h4-7H,1-3,8-9H2,(H,16,17) |
| InChIKey | CCQPDDNFTHQPCX-UHFFFAOYSA-N |
| Mol Weight | 233.27 g/mol |
| Molecular Formula | C13H15NO3 |
| Exact Mass | 233.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5PrATPbNbN |
|---|---|
| Name | Terephthalic acid monopiperidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.105193344 u |
| Formula | C13H15NO3 |
| InChI | InChI=1S/C13H15NO3/c15-12(14-8-2-1-3-9-14)10-4-6-11(7-5-10)13(16)17/h4-7H,1-3,8-9H2,(H,16,17) |
| InChIKey | CCQPDDNFTHQPCX-UHFFFAOYSA-N |
| Molecular Weight | 233.267 g/mol |
| SMILES | C=1(C=CC(=CC1)C(O)=O)C(N1CCCCC1)=O |