| SpectraBase Compound ID | 471PddaktR2 |
|---|---|
| InChI | InChI=1S/C12H19NO2/c14-12(15)7-5-3-1-2-4-6-11-8-9-13-10-11/h8-10,13H,1-7H2,(H,14,15) |
| InChIKey | SPGYUWGWXIIUHA-UHFFFAOYSA-N |
| Mol Weight | 209.29 g/mol |
| Molecular Formula | C12H19NO2 |
| Exact Mass | 209.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBFzC8mbZZt |
|---|---|
| Name | 8-(1H-Pyrrol-3'-yl)-octanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.141578854 u |
| Formula | C12H19NO2 |
| InChI | InChI=1S/C12H19NO2/c14-12(15)7-5-3-1-2-4-6-11-8-9-13-10-11/h8-10,13H,1-7H2,(H,14,15) |
| InChIKey | SPGYUWGWXIIUHA-UHFFFAOYSA-N |
| Molecular Weight | 209.289 g/mol |
| SMILES | C=1NC=CC1CCCCCCCC(=O)O |