| SpectraBase Compound ID | 2C94EbAAO5W |
|---|---|
| InChI | InChI=1S/C12H6FN3O6S/c13-6-1-2-8-10(3-6)23(21,22)11-5-7(15(17)18)4-9(16(19)20)12(11)14-8/h1-5,14H |
| InChIKey | DFTPPRLTLMNYBB-UHFFFAOYSA-N |
| Mol Weight | 339.25 g/mol |
| Molecular Formula | C12H6FN3O6S |
| Exact Mass | 338.996134 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqhWJ2odIix |
|---|---|
| Name | 1,3-Dinitro-7-fluorophenothiazine, 5,5-dioxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.996134256 u |
| Formula | C12H6FN3O6S |
| InChI | InChI=1S/C12H6FN3O6S/c13-6-1-2-8-10(3-6)23(21,22)11-5-7(15(17)18)4-9(16(19)20)12(11)14-8/h1-5,14H |
| InChIKey | DFTPPRLTLMNYBB-UHFFFAOYSA-N |
| Molecular Weight | 339.253 g/mol |
| SMILES | N1C2=C(S(C=3C=C(C=CC13)F)(=O)=O)C=C(C=C2N(=O)=O)N(=O)=O |