| SpectraBase Compound ID | naAQvSxzl2 |
|---|---|
| InChI | InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+ |
| InChIKey | HONRSHHPFBMLBT-OWOJBTEDSA-N |
| Mol Weight | 166.61 g/mol |
| Molecular Formula | C9H7ClO |
| Exact Mass | 166.018543 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JePykPPjf26 |
|---|---|
| Name | (E)-3-(4-Chlorophenyl)-acrylaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.018542544 u |
| Formula | C9H7ClO |
| InChI | InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+ |
| InChIKey | HONRSHHPFBMLBT-OWOJBTEDSA-N |
| Molecular Weight | 166.607 g/mol |
| SMILES | C(=O)\C=C\C1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.959812 |