| SpectraBase Spectrum ID |
76HNclyyRD2 |
| Name |
3-(2,6-Dichlorobenzoyl)-5,7-dimethylisoxazolo[5,4-d]pyrimidine-4,6-dione |
| Comments |
Note: The molecular formula of the structure shown is C14H9Cl2N3O4 - which differs from the formula reported for the mass spectrum (C13H9Cl2N3O3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H9Cl2N3O3 |
| InChI |
InChI=1S/C14H9Cl2N3O4/c1-18-12(21)9-10(17-23-13(9)19(2)14(18)22)11(20)8-6(15)4-3-5-7(8)16/h3-5H,1-2H3 |
| InChIKey |
VJTRHYPMZYGRJP-UHFFFAOYSA-N |
| Molecular Weight |
354.149 g/mol |
| SMILES |
c1(Cl)c(C(=O)c2noc3N(C(N(C(c23)=O)C)=O)C)c(ccc1)Cl |
| SPLASH |
splash10-01ox-1190000000-d0e118f41045becb6b31 |
| Source of Spectrum |
H1-34-1433-17 |
| Wiley ID |
754762 |
![3-(2,6-Dichlorobenzoyl)-5,7-dimethylisoxazolo[5,4-d]pyrimidine-4,6-dione](/api/spectrum/76HNclyyRD2/structure.png?h=300&w=458 "3-(2,6-Dichlorobenzoyl)-5,7-dimethylisoxazolo[5,4-d]pyrimidine-4,6-dione")
