![9-Chloro-1-fluoro-12H-[1,3]benzothiazolo[2,3-B]quinazolin-12-one](/api/spectrum/Kbf6RnHLDEU/structure.png?h=300&w=458 "9-Chloro-1-fluoro-12H-[1,3]benzothiazolo[2,3-B]quinazolin-12-one")
| SpectraBase Compound ID | 8ZuJJzRw1nQ |
|---|---|
| InChI | InChI=1S/C14H6ClFN2OS/c15-7-4-5-11-10(6-7)18-13(19)12-8(16)2-1-3-9(12)17-14(18)20-11/h1-6H |
| InChIKey | GPWBEALTJDFRPS-UHFFFAOYSA-N |
| Mol Weight | 304.73 g/mol |
| Molecular Formula | C14H6ClFN2OS |
| Exact Mass | 303.98734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kbf6RnHLDEU |
|---|---|
| Name | 9-Chloro-1-fluoro-12H-[1,3]benzothiazolo[2,3-B]quinazolin-12-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.987339857 u |
| Formula | C14H6ClFN2OS |
| InChI | InChI=1S/C14H6ClFN2OS/c15-7-4-5-11-10(6-7)18-13(19)12-8(16)2-1-3-9(12)17-14(18)20-11/h1-6H |
| InChIKey | GPWBEALTJDFRPS-UHFFFAOYSA-N |
| Molecular Weight | 304.726 g/mol |
| SMILES | C1=2N(C(C=3C(N2)=CC=CC3F)=O)C2=C(S1)C=CC(=C2)Cl |