| SpectraBase Compound ID | JYhmz79i1f9 |
|---|---|
| InChI | InChI=1S/C21H33NO/c23-21(22-18-12-13-19-22)17-11-6-4-2-1-3-5-8-14-20-15-9-7-10-16-20/h7,9-10,15-16H,1-6,8,11-14,17-19H2 |
| InChIKey | FTQVMDJOQBRGSY-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C21H33NO |
| Exact Mass | 315.256215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8e9571Tkkh6 |
|---|---|
| Name | 11-Phenyl-undecanoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.256214686 u |
| Formula | C21H33NO |
| InChI | InChI=1S/C21H33NO/c23-21(22-18-12-13-19-22)17-11-6-4-2-1-3-5-8-14-20-15-9-7-10-16-20/h7,9-10,15-16H,1-6,8,11-14,17-19H2 |
| InChIKey | FTQVMDJOQBRGSY-UHFFFAOYSA-N |
| Molecular Weight | 315.501 g/mol |
| SMILES | C1(=CC=CC=C1)CCCCCCCCCCC(N1CCCC1)=O |