| SpectraBase Compound ID | D5iwa6mXSYk |
|---|---|
| InChI | InChI=1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3 |
| InChIKey | BZCOHGUBYSDFET-UHFFFAOYSA-N |
| Mol Weight | 170.59 g/mol |
| Molecular Formula | C8H7ClO2 |
| Exact Mass | 170.013457 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GgdN067yRCy |
|---|---|
| Name | 4-Chloro-3-methoxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.013457163 u |
| Formula | C8H7ClO2 |
| InChI | InChI=1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3 |
| InChIKey | BZCOHGUBYSDFET-UHFFFAOYSA-N |
| Molecular Weight | 170.595 g/mol |
| SMILES | C1=CC(=CC(=C1Cl)OC)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918778 |