| SpectraBase Compound ID | Aw6fRAqK7bm |
|---|---|
| InChI | InChI=1S/C12H8FNO2S/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H |
| InChIKey | BMGQSBQNSVAMRG-UHFFFAOYSA-N |
| Mol Weight | 249.26 g/mol |
| Molecular Formula | C12H8FNO2S |
| Exact Mass | 249.025978 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5gy4abBCaaZ |
|---|---|
| Name | o-Fluorophenyl p-nitrophenyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.025977837 u |
| Formula | C12H8FNO2S |
| InChI | InChI=1S/C12H8FNO2S/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H |
| InChIKey | BMGQSBQNSVAMRG-UHFFFAOYSA-N |
| Molecular Weight | 249.259 g/mol |
| SMILES | C=1C=CC=C(C1SC1=CC=C(C=C1)N(=O)=O)F |
| Spectrum/Structure Validation Score (Raman) | 0.71051 |