| SpectraBase Compound ID | K9ZSLGPG4AH |
|---|---|
| InChI | InChI=1S/C9H11NO/c10-7-3-5-8-4-1-2-6-9(8)11/h4H,1-3,5-6H2 |
| InChIKey | ZDGDXZJLXBDXLJ-UHFFFAOYSA-N |
| Mol Weight | 149.19 g/mol |
| Molecular Formula | C9H11NO |
| Exact Mass | 149.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F5Rfb0ybNA7 |
|---|---|
| Name | 3-(6-Ketocyclohexen-1-yl)propionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.084063977 u |
| Formula | C9H11NO |
| InChI | InChI=1S/C9H11NO/c10-7-3-5-8-4-1-2-6-9(8)11/h4H,1-3,5-6H2 |
| InChIKey | ZDGDXZJLXBDXLJ-UHFFFAOYSA-N |
| Molecular Weight | 149.193 g/mol |
| SMILES | C(#N)CCC=1C(=O)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975555 |