| SpectraBase Compound ID | 8kJtUbfgVqa |
|---|---|
| InChI | InChI=1S/C7H9NO/c9-7-3-6-8-4-1-2-5-8/h7H,1-2,4-5H2 |
| InChIKey | YAGPDZAJSNXKIW-UHFFFAOYSA-N |
| Mol Weight | 123.15 g/mol |
| Molecular Formula | C7H9NO |
| Exact Mass | 123.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J8IohZs3y4F |
|---|---|
| Name | 3-(1-Pyrrolidinyl)-2-propynal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.068413913 u |
| Formula | C7H9NO |
| InChI | InChI=1S/C7H9NO/c9-7-3-6-8-4-1-2-5-8/h7H,1-2,4-5H2 |
| InChIKey | YAGPDZAJSNXKIW-UHFFFAOYSA-N |
| Molecular Weight | 123.155 g/mol |
| SMILES | C(#CN1CCCC1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965958 |