| SpectraBase Compound ID | BqdJYgYzcQT |
|---|---|
| InChI | InChI=1S/C9H9ClO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3 |
| InChIKey | XOIGZLJCLDWTQH-UHFFFAOYSA-N |
| Mol Weight | 168.62 g/mol |
| Molecular Formula | C9H9ClO |
| Exact Mass | 168.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B5ahWZhwrn5 |
|---|---|
| Name | 4'-Chloro-3'-methyl-acetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.034192609 u |
| Formula | C9H9ClO |
| InChI | InChI=1S/C9H9ClO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3 |
| InChIKey | XOIGZLJCLDWTQH-UHFFFAOYSA-N |
| Molecular Weight | 168.623 g/mol |
| SMILES | C1(Cl)=C(C=C(C(=O)C)C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94413 |