| SpectraBase Compound ID | 9Qp4ykLmCkp |
|---|---|
| InChI | InChI=1S/C16H13ClO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-11H,1H3 |
| InChIKey | WSEZVGWJTWBTQK-UHFFFAOYSA-N |
| Mol Weight | 256.73 g/mol |
| Molecular Formula | C16H13ClO |
| Exact Mass | 256.065493 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7xbNBPSzBrC |
|---|---|
| Name | 4-Chloro-4'-methylchalcone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.065492738 u |
| Formula | C16H13ClO |
| InChI | InChI=1S/C16H13ClO/c1-12-2-7-14(8-3-12)16(18)11-6-13-4-9-15(17)10-5-13/h2-11H,1H3 |
| InChIKey | WSEZVGWJTWBTQK-UHFFFAOYSA-N |
| Molecular Weight | 256.732 g/mol |
| SMILES | C=1C(=CC=C(C1)C)C(C=CC=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.97046 |