| SpectraBase Compound ID | 3GT68UH07Na |
|---|---|
| InChI | InChI=1S/C8H13NO/c1-3-6-5-9-8(10)7(6)4-2/h3-5H2,1-2H3,(H,9,10) |
| InChIKey | GFMKRVNZKHELSL-UHFFFAOYSA-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 | 1EvtjwWbk08 |
|---|---|
| Name | 3,4-Diethyl-3-pyrrolin-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/c1-3-6-5-9-8(10)7(6)4-2/h3-5H2,1-2H3,(H,9,10) |
| InChIKey | GFMKRVNZKHELSL-UHFFFAOYSA-N |
| Molecular Weight | 139.198 g/mol |
| SMILES | C1(NCC(=C1CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923075 |