| SpectraBase Compound ID | 1VOLIt8HJPF |
|---|---|
| InChI | InChI=1S/C7H11NO/c1-2-7(9)8-5-3-4-6-8/h3,5H,2,4,6H2,1H3 |
| InChIKey | DULZYNQGXJKFLM-UHFFFAOYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6ml0XEI8Epm |
|---|---|
| Name | 1-(2,3-Dihydropyrrol-1-yl)-1-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c1-2-7(9)8-5-3-4-6-8/h3,5H,2,4,6H2,1H3 |
| InChIKey | DULZYNQGXJKFLM-UHFFFAOYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C=1N(CCC1)C(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982091 |