| SpectraBase Compound ID | 9vc7ErnX9Xl |
|---|---|
| InChI | InChI=1S/C12H9ClO2/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-7H,8H2 |
| InChIKey | OAUHRTCHWPBDJG-UHFFFAOYSA-N |
| Mol Weight | 220.65 g/mol |
| Molecular Formula | C12H9ClO2 |
| Exact Mass | 220.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5IbxVFyS9Pc |
|---|---|
| Name | 2-(Chloromethyl)-6-phenyl-4H-pyran-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.029107228 u |
| Formula | C12H9ClO2 |
| InChI | InChI=1S/C12H9ClO2/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-7H,8H2 |
| InChIKey | OAUHRTCHWPBDJG-UHFFFAOYSA-N |
| Molecular Weight | 220.655 g/mol |
| SMILES | C=1C(=CC=CC1)C=1OC(=CC(C1)=O)CCl |
| Spectrum/Structure Validation Score (Raman) | 0.924781 |