![8-Methyl-4H-pyrimido[2,1-b]benzothiazol-4-one](/api/spectrum/7MkmPI4dLVB/structure.png?h=300&w=458 "8-Methyl-4H-pyrimido[2,1-b]benzothiazol-4-one")
| SpectraBase Compound ID | 92XxJPJhS17 |
|---|---|
| InChI | InChI=1S/C11H8N2OS/c1-7-2-3-8-9(6-7)15-11-12-5-4-10(14)13(8)11/h2-6H,1H3 |
| InChIKey | NMSNYTXLOQNMIJ-UHFFFAOYSA-N |
| Mol Weight | 216.26 g/mol |
| Molecular Formula | C11H8N2OS |
| Exact Mass | 216.035734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MkmPI4dLVB |
|---|---|
| Name | 8-Methyl-4H-pyrimido[2,1-B]benzothiazol-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.035734059 u |
| Formula | C11H8N2OS |
| InChI | InChI=1S/C11H8N2OS/c1-7-2-3-8-9(6-7)15-11-12-5-4-10(14)13(8)11/h2-6H,1H3 |
| InChIKey | NMSNYTXLOQNMIJ-UHFFFAOYSA-N |
| Molecular Weight | 216.258 g/mol |
| SMILES | C=12SC=3C(N2C(C=CN1)=O)=CC=C(C3)C |