| SpectraBase Compound ID | 3hgQuzuSfm2 |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-6-5-10(4)8(12)9(6,3)7(2)11/h1,5H2,2-4H3 |
| InChIKey | RDMSDUFKURBWMB-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 | DHQLB8MuZoT |
|---|---|
| Name | 3-Acetyl-1,3-dimethyl-4-methylene-2-pyrrolidinone |
| 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/c1-6-5-10(4)8(12)9(6,3)7(2)11/h1,5H2,2-4H3 |
| InChIKey | RDMSDUFKURBWMB-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C1(C(N(C)CC1=C)=O)(C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976919 |