| SpectraBase Compound ID | BbvooGhUOi9 |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-7(13)10-8-5-3-4-6-9(8)12(2)11(10)14/h3-6,10H,1-2H3 |
| InChIKey | KYZQBAPVLYQMPV-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K04cZ8ZriMs |
|---|---|
| Name | 3-Acetyl-1-methyl-3H-indol-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c1-7(13)10-8-5-3-4-6-9(8)12(2)11(10)14/h3-6,10H,1-2H3 |
| InChIKey | KYZQBAPVLYQMPV-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | C1(N(C=2C=CC=CC2C1C(=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95682 |