| SpectraBase Compound ID | 42ZVAPOzula |
|---|---|
| InChI | InChI=1S/C7H15NO/c1-4-7(5-2)8-6(3)9/h7H,4-5H2,1-3H3,(H,8,9) |
| InChIKey | MDVOEWMVMCNPHG-UHFFFAOYSA-N |
| Mol Weight | 129.2 g/mol |
| Molecular Formula | C7H15NO |
| Exact Mass | 129.115364 g/mol |
| SpectraBase Spectrum ID | FzrfeY5JvEe |
|---|---|
| Name | N-(Pentan-3-yl)acetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.115364106 u |
| Formula | C7H15NO |
| InChI | InChI=1S/C7H15NO/c1-4-7(5-2)8-6(3)9/h7H,4-5H2,1-3H3,(H,8,9) |
| InChIKey | MDVOEWMVMCNPHG-UHFFFAOYSA-N |
| Molecular Weight | 129.203 g/mol |
| SMILES | C(NC(=O)C)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962916 |