| SpectraBase Compound ID | J7QMoSoOdCD |
|---|---|
| InChI | InChI=1S/C10H9ClO2/c1-2-3-9(12)8-6-7(11)4-5-10(8)13/h2-6,13H,1H3/b3-2+ |
| InChIKey | REDXFVCPODGDOV-NSCUHMNNSA-N |
| Mol Weight | 196.63 g/mol |
| Molecular Formula | C10H9ClO2 |
| Exact Mass | 196.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6yoMrpHLSjn |
|---|---|
| Name | 4-Chloro-2-crotonoylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.029107228 u |
| Formula | C10H9ClO2 |
| InChI | InChI=1S/C10H9ClO2/c1-2-3-9(12)8-6-7(11)4-5-10(8)13/h2-6,13H,1H3/b3-2+ |
| InChIKey | REDXFVCPODGDOV-NSCUHMNNSA-N |
| Molecular Weight | 196.633 g/mol |
| SMILES | C1(C(\C=C\C)=O)=C(C=CC(=C1)Cl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979909 |