| SpectraBase Compound ID | 7yIzf9830Zz |
|---|---|
| InChI | InChI=1S/C12H13ClO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-5,7-9H,2,6,10H2/b9-5+ |
| InChIKey | FITSQMLTLRHXKP-WEVVVXLNSA-N |
| Mol Weight | 208.69 g/mol |
| Molecular Formula | C12H13ClO |
| Exact Mass | 208.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 60aVFkTrjil |
|---|---|
| Name | 1-Chloro-6-phenylhex-4-en-6-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.065492738 u |
| Formula | C12H13ClO |
| InChI | InChI=1S/C12H13ClO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-5,7-9H,2,6,10H2/b9-5+ |
| InChIKey | FITSQMLTLRHXKP-WEVVVXLNSA-N |
| Molecular Weight | 208.688 g/mol |
| SMILES | C1(=CC=CC=C1)C(=O)\C=C\CCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905918 |