| SpectraBase Compound ID | B103b1L6HIY |
|---|---|
| InChI | InChI=1S/C8H13NO2/c1-2-3-6-9-7(10)4-5-8(9)11/h2-6H2,1H3 |
| InChIKey | HKAIIKVJIRPASO-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 | 8SQaLVIhpK4 |
|---|---|
| Name | 2,5-Pyrrolidinedione, 1-butyl- |
| 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/c1-2-3-6-9-7(10)4-5-8(9)11/h2-6H2,1H3 |
| InChIKey | HKAIIKVJIRPASO-UHFFFAOYSA-N |
| Molecular Weight | 155.197 g/mol |
| SMILES | C(CN1C(=O)CCC1=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947701 |