| SpectraBase Compound ID | 42sOzoIfyUq |
|---|---|
| InChI | InChI=1S/C11H9Cl3O/c1-8-2-4-9(5-3-8)6-7-10(15)11(12,13)14/h2-7H,1H3/b7-6+ |
| InChIKey | UOKNKWGPUDKDFQ-VOTSOKGWSA-N |
| Mol Weight | 263.55 g/mol |
| Molecular Formula | C11H9Cl3O |
| Exact Mass | 261.971898 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 12tqow9pvtT |
|---|---|
| Name | (E)-1,1,1-Trichloro-4-p-tolylbut-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.971898009 u |
| Formula | C11H9Cl3O |
| InChI | InChI=1S/C11H9Cl3O/c1-8-2-4-9(5-3-8)6-7-10(15)11(12,13)14/h2-7H,1H3/b7-6+ |
| InChIKey | UOKNKWGPUDKDFQ-VOTSOKGWSA-N |
| SMILES | C(C(\C=C\C1=CC=C(C=C1)C)=O)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884456 |