| SpectraBase Compound ID | C9xyYLqGL4f |
|---|---|
| InChI | InChI=1S/C9H13NO2/c11-9(12)5-1-2-6-10-7-3-4-8-10/h3-4,7-8H,1-2,5-6H2,(H,11,12) |
| InChIKey | AVEVRCSCWPFBMP-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgdnQeK0jnN |
|---|---|
| Name | 5-(1-Pyrrolyl)pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c11-9(12)5-1-2-6-10-7-3-4-8-10/h3-4,7-8H,1-2,5-6H2,(H,11,12) |
| InChIKey | AVEVRCSCWPFBMP-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C=1N(C=CC1)CCCCC(=O)O |