| SpectraBase Compound ID | LNjK0S2ylcj |
|---|---|
| InChI | InChI=1S/C12H15NO2/c14-10-6-2-5-9-13-12(15)11-7-3-1-4-8-11/h1,3-4,7-8,10H,2,5-6,9H2,(H,13,15) |
| InChIKey | LWQUPHAFAHQLSM-UHFFFAOYSA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2PSKdXqgd3p |
|---|---|
| Name | N-(5-Oxopentyl)benzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c14-10-6-2-5-9-13-12(15)11-7-3-1-4-8-11/h1,3-4,7-8,10H,2,5-6,9H2,(H,13,15) |
| InChIKey | LWQUPHAFAHQLSM-UHFFFAOYSA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C(C=1C=CC=CC1)(=O)NCCCCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94873 |