| SpectraBase Compound ID | EtUIWVcaer5 |
|---|---|
| InChI | InChI=1S/C11H9NO2/c1-8(13)10(7-12)11(14)9-5-3-2-4-6-9/h2-6,10H,1H3 |
| InChIKey | LSKVDYCHNRWKFI-UHFFFAOYSA-N |
| Mol Weight | 187.2 g/mol |
| Molecular Formula | C11H9NO2 |
| Exact Mass | 187.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GQFKpKqfQcx |
|---|---|
| Name | 2-Benzoyl-3-keto-butyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.063328532 u |
| Formula | C11H9NO2 |
| InChI | InChI=1S/C11H9NO2/c1-8(13)10(7-12)11(14)9-5-3-2-4-6-9/h2-6,10H,1H3 |
| InChIKey | LSKVDYCHNRWKFI-UHFFFAOYSA-N |
| Molecular Weight | 187.198 g/mol |
| SMILES | C(C(=O)C=1C=CC=CC1)(C#N)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970516 |