| SpectraBase Compound ID | B8BgopbtxlU |
|---|---|
| InChI | InChI=1S/C8H13NO2/c1-3-4-6-5(2)7(10)9-8(6)11/h5-6H,3-4H2,1-2H3,(H,9,10,11) |
| InChIKey | YISAYLJABVJAST-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 | Bm9INFVt9Nt |
|---|---|
| Name | 3-Methyl-4-propyl-2,5-pyrrolidinedione |
| 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/c1-3-4-6-5(2)7(10)9-8(6)11/h5-6H,3-4H2,1-2H3,(H,9,10,11) |
| InChIKey | YISAYLJABVJAST-UHFFFAOYSA-N |
| Molecular Weight | 155.197 g/mol |
| SMILES | C1(NC(C(C1C)CCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978005 |