| SpectraBase Spectrum ID |
CllgxnVHV7r |
| Name |
8-Methyl-4H-pyrimido[2,1-B]benzothiazol-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899033 |
![8-Methyl-4H-pyrimido[2,1-b]benzothiazol-4-one](/api/spectrum/CllgxnVHV7r/structure.png?h=300&w=458 "8-Methyl-4H-pyrimido[2,1-b]benzothiazol-4-one")
