| SpectraBase Compound ID | 9wXLslLYDbW |
|---|---|
| InChI | InChI=1S/C16H11ClO2/c17-16(19)14-9-6-12(7-10-14)8-11-15(18)13-4-2-1-3-5-13/h1-11H/b11-8+ |
| InChIKey | XUPUSMCUDSTNLR-DHZHZOJOSA-N |
| Mol Weight | 270.71 g/mol |
| Molecular Formula | C16H11ClO2 |
| Exact Mass | 270.044757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2kpTw5atw8Q |
|---|---|
| Name | Benzoyl chloride, 4-(3-oxo-3-phenyl-1-propenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.044757292 u |
| Formula | C16H11ClO2 |
| InChI | InChI=1S/C16H11ClO2/c17-16(19)14-9-6-12(7-10-14)8-11-15(18)13-4-2-1-3-5-13/h1-11H/b11-8+ |
| InChIKey | XUPUSMCUDSTNLR-DHZHZOJOSA-N |
| SMILES | C1(=CC=CC=C1)C(\C=C\C1=CC=C(C=C1)C(Cl)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.991788 |