| SpectraBase Compound ID | EP6j03R9u7U |
|---|---|
| InChI | InChI=1S/C15H11ClO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H/b10-9+ |
| InChIKey | XBFMSIZYORSEPA-MDZDMXLPSA-N |
| Mol Weight | 242.7 g/mol |
| Molecular Formula | C15H11ClO |
| Exact Mass | 242.049843 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5CNrYp51A2Y |
|---|---|
| Name | Trans-3-chlorochalcone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.049842673 u |
| Formula | C15H11ClO |
| InChI | InChI=1S/C15H11ClO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H/b10-9+ |
| InChIKey | XBFMSIZYORSEPA-MDZDMXLPSA-N |
| Molecular Weight | 242.705 g/mol |
| SMILES | C=1C(=CC=CC1)C(\C=C\C=1C=CC=C(C1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.991529 |