SpectraBase Compound ID | 8UjWaX4xweA |
---|---|
InChI | InChI=1S/C7H15NO/c1-4-6(3)8-7(9)5-2/h6H,4-5H2,1-3H3,(H,8,9) |
InChIKey | YWXTWKJVVCXINH-UHFFFAOYSA-N |
Mol Weight | 129.2 g/mol |
Molecular Formula | C7H15NO |
Exact Mass | 129.115364 g/mol |
SpectraBase Spectrum ID | Cmyr7xPicd8 |
---|---|
Name | N-but-2-Ylpropionamide |
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/c1-4-6(3)8-7(9)5-2/h6H,4-5H2,1-3H3,(H,8,9) |
InChIKey | YWXTWKJVVCXINH-UHFFFAOYSA-N |
Molecular Weight | 129.203 g/mol |
SMILES | C(NC(CC)C)(CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81558 |