| SpectraBase Spectrum ID |
9N76sfFbgkf |
| Name |
Spiro-[benzothiazoline-2,5'-pyrimidine-2',4',6'-(1'H,3'H,5'H)-trione] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.020812268 u |
| Formula |
C10H7N3O3S |
| InChI |
InChI=1S/C10H7N3O3S/c14-7-10(8(15)12-9(16)11-7)13-5-3-1-2-4-6(5)17-10/h1-4,13H,(H2,11,12,14,15,16) |
| InChIKey |
QJURAKWVJPRCOB-UHFFFAOYSA-N |
| Molecular Weight |
249.244 g/mol |
| SMILES |
C12(C(NC(NC2=O)=O)=O)NC=2C=CC=CC2S1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917193 |
![Spiro-[benzothiazoline-2,5'-pyrimidine-2',4',6'-(1'H,3'H,5'H)-trione]](/api/spectrum/9N76sfFbgkf/structure.png?h=300&w=458 "Spiro-[benzothiazoline-2,5'-pyrimidine-2',4',6'-(1'H,3'H,5'H)-trione]")
