| SpectraBase Compound ID | BJ00LZTirOU |
|---|---|
| InChI | InChI=1S/C8H13NO/c1-8(10)4-7-9-5-2-3-6-9/h4,7H,2-3,5-6H2,1H3/b7-4+ |
| InChIKey | PHIOIKOSWSFSHZ-QPJJXVBHSA-N |
| Mol Weight | 139.2 g/mol |
| Molecular Formula | C8H13NO |
| Exact Mass | 139.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7tcym6e9sCm |
|---|---|
| Name | 4-Pyrrolidino-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.099714042 u |
| Formula | C8H13NO |
| InChI | InChI=1S/C8H13NO/c1-8(10)4-7-9-5-2-3-6-9/h4,7H,2-3,5-6H2,1H3/b7-4+ |
| InChIKey | PHIOIKOSWSFSHZ-QPJJXVBHSA-N |
| Molecular Weight | 139.198 g/mol |
| SMILES | C(=O)(C)\C=C\N1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951129 |