| SpectraBase Compound ID | LFwz6FEGtxh |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | VBGFLYWUTPWXPK-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ft6fm4Q2f1X |
|---|---|
| Name | 1-Butylquinoline-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7H,2-3,8-9H2,1H3 |
| InChIKey | VBGFLYWUTPWXPK-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | CCCCN1C(CC(C2=C1C=CC=C2)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976911 |