| SpectraBase Compound ID | KvDzqP185xI |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-2-6-3-4-8-7(5-6)9(12)10(13)11-8/h3-5H,2H2,1H3,(H,11,12,13) |
| InChIKey | XDGNFZUIJHZHHP-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EVpXgOXJSZA |
|---|---|
| Name | 1H-Indole-2,3-dione, 5-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-2-6-3-4-8-7(5-6)9(12)10(13)11-8/h3-5H,2H2,1H3,(H,11,12,13) |
| InChIKey | XDGNFZUIJHZHHP-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | C12=C(C=CC(=C2)CC)NC(C1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947303 |