| SpectraBase Compound ID | 3rdoJPLcITT |
|---|---|
| InChI | InChI=1S/C9H9ClO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3 |
| InChIKey | AMZCHEDPEAQEMC-UHFFFAOYSA-N |
| Mol Weight | 200.62 g/mol |
| Molecular Formula | C9H9ClO3 |
| Exact Mass | 200.024022 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1aFdsUWeuoT |
|---|---|
| Name | 3-Chloro-4,5-dimethoxybenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.024021847 u |
| Formula | C9H9ClO3 |
| InChI | InChI=1S/C9H9ClO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3 |
| InChIKey | AMZCHEDPEAQEMC-UHFFFAOYSA-N |
| Molecular Weight | 200.621 g/mol |
| SMILES | C1(Cl)=CC(C=O)=CC(=C1OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.981314 |