| SpectraBase Compound ID | D8FU2mujD8Y |
|---|---|
| InChI | InChI=1S/C15H16O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h3,7-13H,1,4-6H2/b13-10+ |
| InChIKey | JWVYAYMCPRMURT-JLHYYAGUSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C15H16O |
| Exact Mass | 212.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GzGbMktDJfa |
|---|---|
| Name | 1-Phenyl-2,7,8-nonatrienone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.120115134 u |
| Formula | C15H16O |
| InChI | InChI=1S/C15H16O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h3,7-13H,1,4-6H2/b13-10+ |
| InChIKey | JWVYAYMCPRMURT-JLHYYAGUSA-N |
| Molecular Weight | 212.292 g/mol |
| SMILES | C(CC=C=C)C\C=C\C(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977423 |