| SpectraBase Compound ID | g91albgfST |
|---|---|
| InChI | InChI=1S/C12H7FN2O2S/c13-7-1-3-9-11(5-7)18-12-6-8(15(16)17)2-4-10(12)14-9/h1-6,14H |
| InChIKey | JUAOJBUWUOGZSC-UHFFFAOYSA-N |
| Mol Weight | 262.26 g/mol |
| Molecular Formula | C12H7FN2O2S |
| Exact Mass | 262.021227 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FkuaZGcy8Xa |
|---|---|
| Name | 3-Fluoro-7-nitrophenothiazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.021226808 u |
| Formula | C12H7FN2O2S |
| InChI | InChI=1S/C12H7FN2O2S/c13-7-1-3-9-11(5-7)18-12-6-8(15(16)17)2-4-10(12)14-9/h1-6,14H |
| InChIKey | JUAOJBUWUOGZSC-UHFFFAOYSA-N |
| Molecular Weight | 262.258 g/mol |
| SMILES | C1=CC(=CC2=C1NC=1C=CC(F)=CC1S2)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.957701 |