| SpectraBase Compound ID | B4ZzLyXf8Od |
|---|---|
| InChI | InChI=1S/C11H11NO/c1-2-9(8-12)11(13)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3 |
| InChIKey | DAWKKCQLIURYLL-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C11H11NO |
| Exact Mass | 173.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7F185bQvgYt |
|---|---|
| Name | A-Benzoyl butyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.084063977 u |
| Formula | C11H11NO |
| InChI | InChI=1S/C11H11NO/c1-2-9(8-12)11(13)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3 |
| InChIKey | DAWKKCQLIURYLL-UHFFFAOYSA-N |
| Molecular Weight | 173.215 g/mol |
| SMILES | C(C(CC)C(C=1C=CC=CC1)=O)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833116 |