| SpectraBase Compound ID | IbcnxE8tGZD |
|---|---|
| InChI | InChI=1S/C10H15NO/c11-7-2-1-4-9-5-3-6-10(12)8-9/h9H,1-6,8H2 |
| InChIKey | LBNXUJAXQZAJIU-UHFFFAOYSA-N |
| Mol Weight | 165.24 g/mol |
| Molecular Formula | C10H15NO |
| Exact Mass | 165.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AIriXkv0qR9 |
|---|---|
| Name | 4-(3-Ketocyclohexyl)butyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.115364106 u |
| Formula | C10H15NO |
| InChI | InChI=1S/C10H15NO/c11-7-2-1-4-9-5-3-6-10(12)8-9/h9H,1-6,8H2 |
| InChIKey | LBNXUJAXQZAJIU-UHFFFAOYSA-N |
| Molecular Weight | 165.236 g/mol |
| SMILES | C(#N)CCCC1CC(=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948735 |