| SpectraBase Compound ID | ISMpSrKOmzS |
|---|---|
| InChI | InChI=1S/C8H6ClFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3 |
| InChIKey | PCJPESKRPOTNGU-UHFFFAOYSA-N |
| Mol Weight | 172.59 g/mol |
| Molecular Formula | C8H6ClFO |
| Exact Mass | 172.009121 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HpKhmTY7VzC |
|---|---|
| Name | 3-Chloro-4-fluoroacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.009120675 u |
| Formula | C8H6ClFO |
| InChI | InChI=1S/C8H6ClFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3 |
| InChIKey | PCJPESKRPOTNGU-UHFFFAOYSA-N |
| Molecular Weight | 172.586 g/mol |
| SMILES | C1(=C(C=C(C=C1)C(=O)C)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954535 |