| SpectraBase Compound ID | KPqpvmGoGWq |
|---|---|
| InChI | InChI=1S/C14H11FOS/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChIKey | RQQXVFYAQHDAAS-UHFFFAOYSA-N |
| Mol Weight | 246.3 g/mol |
| Molecular Formula | C14H11FOS |
| Exact Mass | 246.051464 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KhAmPdh8VAl |
|---|---|
| Name | 3-Fluoro-4-(methylthio)benzophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.051464310 u |
| Formula | C14H11FOS |
| InChI | InChI=1S/C14H11FOS/c1-17-13-8-7-11(9-12(13)15)14(16)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChIKey | RQQXVFYAQHDAAS-UHFFFAOYSA-N |
| Molecular Weight | 246.299 g/mol |
| SMILES | CSC1=C(C=C(C=C1)C(C1=CC=CC=C1)=O)F |
| Spectrum/Structure Validation Score (Raman) | 0.857869 |