| SpectraBase Compound ID | 4Qk2loiaxby |
|---|---|
| InChI | InChI=1S/C9H9ClO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3 |
| InChIKey | SGUZXTCPCSYLNY-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 | 3aGGonUPpnU |
|---|---|
| Name | 1-(4-Chloranyl-2-methyl-phenyl)ethanone |
| 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(10)3-4-9(6)7(2)11/h3-5H,1-2H3 |
| InChIKey | SGUZXTCPCSYLNY-UHFFFAOYSA-N |
| Molecular Weight | 168.623 g/mol |
| SMILES | C=1(C(=CC(=CC1)Cl)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927137 |