| SpectraBase Compound ID | EuCWVp8bpO4 |
|---|---|
| InChI | InChI=1S/C11H17NO/c1-10(13)5-8-11(9-12)6-3-2-4-7-11/h2-8H2,1H3 |
| InChIKey | QBWFZHZWVMWYOJ-UHFFFAOYSA-N |
| Mol Weight | 179.26 g/mol |
| Molecular Formula | C11H17NO |
| Exact Mass | 179.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LSLzhUhE8YH |
|---|---|
| Name | Cyclohexanecarbonitrile, 1-(3-oxobutyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.131014170 u |
| Formula | C11H17NO |
| InChI | InChI=1S/C11H17NO/c1-10(13)5-8-11(9-12)6-3-2-4-7-11/h2-8H2,1H3 |
| InChIKey | QBWFZHZWVMWYOJ-UHFFFAOYSA-N |
| Molecular Weight | 179.263 g/mol |
| SMILES | C(#N)C1(CCC(=O)C)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921663 |