| SpectraBase Compound ID | IhhpKP8RviX |
|---|---|
| InChI | InChI=1S/C12H15ClO/c1-2-10-5-7-11(8-6-10)12(14)4-3-9-13/h5-8H,2-4,9H2,1H3 |
| InChIKey | PTKKOYFXSPTUGB-UHFFFAOYSA-N |
| Mol Weight | 210.7 g/mol |
| Molecular Formula | C12H15ClO |
| Exact Mass | 210.081143 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5tkGa3lmSGt |
|---|---|
| Name | 4-Chloro-4'-ethylbutyrophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.081142802 u |
| Formula | C12H15ClO |
| InChI | InChI=1S/C12H15ClO/c1-2-10-5-7-11(8-6-10)12(14)4-3-9-13/h5-8H,2-4,9H2,1H3 |
| InChIKey | PTKKOYFXSPTUGB-UHFFFAOYSA-N |
| Molecular Weight | 210.704 g/mol |
| SMILES | C1=C(C=CC(=C1)CC)C(CCCCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.97358 |