| SpectraBase Compound ID | IJR5KiOTYs6 |
|---|---|
| InChI | InChI=1S/C9H9ClO/c1-6-3-4-8(7(2)11)9(10)5-6/h3-5H,1-2H3 |
| InChIKey | MRYQHOMGPMPAJT-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 | I3NZBqDU0ft |
|---|---|
| Name | 1-(2-Chloranyl-4-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/c1-6-3-4-8(7(2)11)9(10)5-6/h3-5H,1-2H3 |
| InChIKey | MRYQHOMGPMPAJT-UHFFFAOYSA-N |
| Molecular Weight | 168.623 g/mol |
| SMILES | C1(=C(C=C(C=C1)C)Cl)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927085 |