| SpectraBase Compound ID | 9qG6mW0sCgl |
|---|---|
| InChI | InChI=1S/C8H13NO2/c1-5(2)8(3)6(10)9(4)7(8)11/h5H,1-4H3 |
| InChIKey | CCWPBEYIYIZIMR-UHFFFAOYSA-N |
| Mol Weight | 155.2 g/mol |
| Molecular Formula | C8H13NO2 |
| Exact Mass | 155.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8F8qerzsIPZ |
|---|---|
| Name | 1,3-Dimethyl-3-(2-propyl)azetidine-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.094628661 u |
| Formula | C8H13NO2 |
| InChI | InChI=1S/C8H13NO2/c1-5(2)8(3)6(10)9(4)7(8)11/h5H,1-4H3 |
| InChIKey | CCWPBEYIYIZIMR-UHFFFAOYSA-N |
| Molecular Weight | 155.197 g/mol |
| SMILES | C1(C(C(C)C)(C)C(N1C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888939 |