| SpectraBase Compound ID | JXsSBOBG2CX |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-7(2)6-9(12)10-5-3-4-8(10)11/h6H,3-5H2,1-2H3 |
| InChIKey | PEQFDTVHDBMETB-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AWHW2STvGUo |
|---|---|
| Name | N-(3'-Methylbut-2'-enoyl)-2-pyrrolidone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-7(2)6-9(12)10-5-3-4-8(10)11/h6H,3-5H2,1-2H3 |
| InChIKey | PEQFDTVHDBMETB-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C(N1C(=O)CCC1)(C=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95715 |