| SpectraBase Spectrum ID |
IUnq6ALlcXB |
| Name |
3'-Methyl-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 |
263.036462333 u |
| Formula |
C11H9N3O3S |
| InChI |
InChI=1S/C11H9N3O3S/c1-14-9(16)11(8(15)12-10(14)17)13-6-4-2-3-5-7(6)18-11/h2-5,13H,1H3,(H,12,15,17) |
| InChIKey |
COTCRWFNJLJHSB-UHFFFAOYSA-N |
| Molecular Weight |
263.271 g/mol |
| SMILES |
C12(C(N(C)C(NC2=O)=O)=O)NC=2C=CC=CC2S1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966224 |
![3'-Methyl-spiro-[benzothiazoline-2,5'-pyrimidine-2',4',6'-(1'H,3'H,5'H)-trione]](/api/spectrum/IUnq6ALlcXB/structure.png?h=300&w=458 "3'-Methyl-spiro-[benzothiazoline-2,5'-pyrimidine-2',4',6'-(1'H,3'H,5'H)-trione]")
