| SpectraBase Compound ID | BmeFPLmuEcO |
|---|---|
| InChI | InChI=1S/C8H11NO/c1-8(10)4-7-9-5-2-3-6-9/h2-3,5-6H2,1H3 |
| InChIKey | IBZQXZXFLISRDE-UHFFFAOYSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H0OyXp3nVqP |
|---|---|
| Name | 4-Pyrrolidin-1-ylbut-3-yn-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.084063977 u |
| Formula | C8H11NO |
| InChI | InChI=1S/C8H11NO/c1-8(10)4-7-9-5-2-3-6-9/h2-3,5-6H2,1H3 |
| InChIKey | IBZQXZXFLISRDE-UHFFFAOYSA-N |
| SMILES | C(=O)(C#CN1CCCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965551 |