| SpectraBase Compound ID | DR6gSEwFt6L |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-12-9(11)5-4-8-10-6-2-3-7-10/h2-3,6-7H,4-5,8H2,1H3 |
| InChIKey | XXCAXYPWMFRHRP-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 | BgunstIPNuW |
|---|---|
| Name | 4-(1-Pyrrolyl)butanoic acid methyl ester |
| 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/c1-12-9(11)5-4-8-10-6-2-3-7-10/h2-3,6-7H,4-5,8H2,1H3 |
| InChIKey | XXCAXYPWMFRHRP-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C=1N(C=CC1)CCCC(=O)OC |