| SpectraBase Compound ID | A6uTHK4QrLj |
|---|---|
| InChI | InChI=1S/C9H9ClO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,6H,5,7H2 |
| InChIKey | AHTHKMLUEZACIL-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 | J9uG4vwDwmM |
|---|---|
| Name | 2-(4-(Chloromethyl)phenyl)acetaldehyde |
| 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/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,6H,5,7H2 |
| InChIKey | AHTHKMLUEZACIL-UHFFFAOYSA-N |
| SMILES | C=1C=C(CC=O)C=CC1CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862085 |