| SpectraBase Compound ID | AIYhpp3JgII |
|---|---|
| InChI | InChI=1S/C10H13NO/c1-3-10(12)11-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,11,12) |
| InChIKey | OOZZQDJPLCJMML-UHFFFAOYSA-N |
| Mol Weight | 163.22 g/mol |
| Molecular Formula | C10H13NO |
| Exact Mass | 163.099714 g/mol |
| SpectraBase Spectrum ID | E9oOEhfrLGU |
|---|---|
| Name | N-(2-Methylphenyl)propanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.099714042 u |
| Formula | C10H13NO |
| InChI | InChI=1S/C10H13NO/c1-3-10(12)11-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,11,12) |
| InChIKey | OOZZQDJPLCJMML-UHFFFAOYSA-N |
| Molecular Weight | 163.220 g/mol |
| SMILES | C=1(NC(CC)=O)C(=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967475 |