| SpectraBase Compound ID | KdT5a9nvoIW |
|---|---|
| InChI | InChI=1S/C10H9ClO/c1-8-4-2-3-5-9(8)6-10(11)7-12/h2-7H,1H3/b10-6- |
| InChIKey | LGFHXFJIYHVOPB-POHAHGRESA-N |
| Mol Weight | 180.63 g/mol |
| Molecular Formula | C10H9ClO |
| Exact Mass | 180.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ruOb9gWL8G |
|---|---|
| Name | 2-Chloro-3-(2-methylphenyl)prop-2-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.034192609 u |
| Formula | C10H9ClO |
| InChI | InChI=1S/C10H9ClO/c1-8-4-2-3-5-9(8)6-10(11)7-12/h2-7H,1H3/b10-6- |
| InChIKey | LGFHXFJIYHVOPB-POHAHGRESA-N |
| SMILES | C=1C=CC(=C(C1)C)\C=C\(C=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941054 |