| SpectraBase Compound ID | DUW2xqV2phh |
|---|---|
| InChI | InChI=1S/C9H11ClO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3 |
| InChIKey | YRNBYTFFWMWTGG-UHFFFAOYSA-N |
| Mol Weight | 186.64 g/mol |
| Molecular Formula | C9H11ClO2 |
| Exact Mass | 186.044757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6RwGrkSNRMf |
|---|---|
| Name | 4-Chlorobenzaldehyde dimethyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.044757292 u |
| Formula | C9H11ClO2 |
| InChI | InChI=1S/C9H11ClO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3 |
| InChIKey | YRNBYTFFWMWTGG-UHFFFAOYSA-N |
| Molecular Weight | 186.638 g/mol |
| SMILES | COC(C1=CC=C(C=C1)Cl)OC |
| Spectrum/Structure Validation Score (Raman) | 0.892756 |