| SpectraBase Compound ID | 8dnfoFef9JJ |
|---|---|
| InChI | InChI=1S/C10H11ClO2/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3 |
| InChIKey | FTNUZHDTKWNHGN-UHFFFAOYSA-N |
| Mol Weight | 198.65 g/mol |
| Molecular Formula | C10H11ClO2 |
| Exact Mass | 198.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JN2OrD2rYlx |
|---|---|
| Name | 2-Chloranyl-1-(4-methoxyphenyl)propan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.044757292 u |
| Formula | C10H11ClO2 |
| InChI | InChI=1S/C10H11ClO2/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3 |
| InChIKey | FTNUZHDTKWNHGN-UHFFFAOYSA-N |
| Molecular Weight | 198.649 g/mol |
| SMILES | C(C=1C=CC(=CC1)OC)(=O)C(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939161 |