| SpectraBase Compound ID | KzpUWFlaWP8 |
|---|---|
| InChI | InChI=1S/C11H15NO/c1-2-3-5-8-11(13)9-6-4-7-10-12/h4,6-7,9H,2-3,5,8H2,1H3/b7-4+,9-6+ |
| InChIKey | HHHCTTDBLBIIPN-KRHXFINASA-N |
| Mol Weight | 177.25 g/mol |
| Molecular Formula | C11H15NO |
| Exact Mass | 177.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HptAciuPcwZ |
|---|---|
| Name | (2E,4E)-6-oxo-2,4-Undecadienenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.115364106 u |
| Formula | C11H15NO |
| InChI | InChI=1S/C11H15NO/c1-2-3-5-8-11(13)9-6-4-7-10-12/h4,6-7,9H,2-3,5,8H2,1H3/b7-4+,9-6+ |
| InChIKey | HHHCTTDBLBIIPN-KRHXFINASA-N |
| Molecular Weight | 177.247 g/mol |
| SMILES | C(#N)\C=C\C=C\C(=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837503 |