| SpectraBase Compound ID | LLt5vDBtsb3 |
|---|---|
| InChI | InChI=1S/C17H11ClO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H/b10-7+ |
| InChIKey | AJMJHCQXIRINSY-JXMROGBWSA-N |
| Mol Weight | 282.73 g/mol |
| Molecular Formula | C17H11ClO2 |
| Exact Mass | 282.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FoHmJUX10nE |
|---|---|
| Name | 4'-Chloro-2-styrylchromone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.044757292 u |
| Formula | C17H11ClO2 |
| InChI | InChI=1S/C17H11ClO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H/b10-7+ |
| InChIKey | AJMJHCQXIRINSY-JXMROGBWSA-N |
| SMILES | C=1(OC2=CC=CC=C2C(C1)=O)\C=C\C1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96753 |