| SpectraBase Compound ID | JYUID8iqRzE |
|---|---|
| InChI | InChI=1S/C10H11ClO/c1-3-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3 |
| InChIKey | BHFYOGOMYJVOTP-UHFFFAOYSA-N |
| Mol Weight | 182.65 g/mol |
| Molecular Formula | C10H11ClO |
| Exact Mass | 182.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KKRGLBbXeIE |
|---|---|
| Name | 1-(3-Chloro-2-methylphenyl)-1-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.049842673 u |
| Formula | C10H11ClO |
| InChI | InChI=1S/C10H11ClO/c1-3-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3 |
| InChIKey | BHFYOGOMYJVOTP-UHFFFAOYSA-N |
| Molecular Weight | 182.650 g/mol |
| SMILES | C=1(C(=C(Cl)C=CC1)C)C(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917713 |