| SpectraBase Compound ID | 3KIhYYF1LcN |
|---|---|
| InChI | InChI=1S/C15H9ClO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H |
| InChIKey | YATXIRKWTAXQFP-UHFFFAOYSA-N |
| Mol Weight | 240.69 g/mol |
| Molecular Formula | C15H9ClO |
| Exact Mass | 240.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2vBJ7pzQfIP |
|---|---|
| Name | 1-(2-Chlorophenyl)-3-phenylpropynone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.034192609 u |
| Formula | C15H9ClO |
| InChI | InChI=1S/C15H9ClO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-9H |
| InChIKey | YATXIRKWTAXQFP-UHFFFAOYSA-N |
| Molecular Weight | 240.689 g/mol |
| SMILES | C(#CC=1C(Cl)=CC=CC1)C(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951029 |