| SpectraBase Compound ID | KgIYPxDQEBQ |
|---|---|
| InChI | InChI=1S/C9H11NO/c1-8(11)7-10-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3 |
| InChIKey | VUAGYVUCYLZQKM-UHFFFAOYSA-N |
| Mol Weight | 149.19 g/mol |
| Molecular Formula | C9H11NO |
| Exact Mass | 149.084064 g/mol |
| SpectraBase Spectrum ID | 8LqaDFdbYcx |
|---|---|
| Name | 2-Propanone, 1-(phenylamino)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.084063977 u |
| Formula | C9H11NO |
| InChI | InChI=1S/C9H11NO/c1-8(11)7-10-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3 |
| InChIKey | VUAGYVUCYLZQKM-UHFFFAOYSA-N |
| Molecular Weight | 149.193 g/mol |
| SMILES | C(NC=1C=CC=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934678 |