| SpectraBase Compound ID | LpYjM5SP6RL |
|---|---|
| InChI | InChI=1S/C12H15ClO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3 |
| InChIKey | FUFUKDZTHYAFKV-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 | 3lCcIqJhpb6 |
|---|---|
| Name | 4'-Chlorohexanophenone |
| 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/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3 |
| InChIKey | FUFUKDZTHYAFKV-UHFFFAOYSA-N |
| Molecular Weight | 210.704 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)C(CCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.947691 |