| SpectraBase Spectrum ID |
FDuS3bNx2fl |
| Name |
1-(Bromomethyl)-1-methyl-2H-thiazolo[3,2-A]quinazolin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.977547155 u |
| Formula |
C12H11BrN2OS |
| InChI |
InChI=1S/C12H11BrN2OS/c1-12(6-13)7-17-11-14-10(16)8-4-2-3-5-9(8)15(11)12/h2-5H,6-7H2,1H3 |
| InChIKey |
PYWIMINNOFJADB-UHFFFAOYSA-N |
| Molecular Weight |
311.197 g/mol |
| SMILES |
C12=NC(=O)C3=C(N2C(CBr)(C)CS1)C=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915361 |
![1-(bromomethyl)-1-methyl-2H-thiazolo[3,2-a]quinazolin-5-one](/api/spectrum/FDuS3bNx2fl/structure.png?h=300&w=458 "1-(bromomethyl)-1-methyl-2H-thiazolo[3,2-a]quinazolin-5-one")
