| SpectraBase Compound ID | FRhvtGFwQT7 |
|---|---|
| InChI | InChI=1S/C11H9ClO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+,9-8+ |
| InChIKey | NSRHVOYCWYYDMR-BLHCBFLLSA-N |
| Mol Weight | 192.64 g/mol |
| Molecular Formula | C11H9ClO |
| Exact Mass | 192.034193 g/mol |
| SpectraBase Spectrum ID | 50umZakC6W2 |
|---|---|
| Name | 1-Chloro-5-phenylpenta-1,4-dien-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.034192609 u |
| Formula | C11H9ClO |
| InChI | InChI=1S/C11H9ClO/c12-9-8-11(13)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+,9-8+ |
| InChIKey | NSRHVOYCWYYDMR-BLHCBFLLSA-N |
| Molecular Weight | 192.645 g/mol |
| SMILES | C(\C=C\Cl)(\C=C\C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962962 |