| SpectraBase Spectrum ID |
Dv2BdBjt5Vv |
| Name |
5-[(2,4,6(1H,3H,5H)-Trioxopyrimidin-5-ylidenemethyl)amino]salicylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.049135016 u |
| Formula |
C12H9N3O6 |
| InChI |
InChI=1S/C12H9N3O6/c16-8-2-1-5(3-6(8)11(19)20)13-4-7-9(17)14-12(21)15-10(7)18/h1-4,13,16H,(H,19,20)(H2,14,15,17,18,21) |
| InChIKey |
KDCDFEDHIYVTMM-UHFFFAOYSA-N |
| Molecular Weight |
291.219 g/mol |
| SMILES |
N1C(NC(C(=CNc2cc(C(=O)O)c(cc2)O)C1=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837703 |
![5-[(2,4,6(1H,3H,5H)-Trioxopyrimidin-5-ylidenemethyl)amino]salicylic acid](/api/spectrum/Dv2BdBjt5Vv/structure.png?h=300&w=458 "5-[(2,4,6(1H,3H,5H)-Trioxopyrimidin-5-ylidenemethyl)amino]salicylic acid")
