| SpectraBase Spectrum ID |
CSyr8KItCPA |
| Name |
5-(4-Hydroxy-3-methoxyphenyl)-1-methyl-3H,5H,6H,8H-[1,3]diazino[4,5-D]pyrimidine-2,4,7-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.096419562 u |
| Formula |
C14H14N4O5 |
| InChI |
InChI=1S/C14H14N4O5/c1-18-11-9(12(20)17-14(18)22)10(15-13(21)16-11)6-3-4-7(19)8(5-6)23-2/h3-5,10,19H,1-2H3,(H2,15,16,21)(H,17,20,22) |
| InChIKey |
KEDXSQJLADXIEB-UHFFFAOYSA-N |
| Molecular Weight |
318.289 g/mol |
| SMILES |
COC1=C(C=CC(=C1)C1C=2C(NC(N(C)C2NC(N1)=O)=O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901999 |
![5-(4-Hydroxy-3-methoxyphenyl)-1-methyl-3H,5H,6H,8H-[1,3]diazino[4,5-D]pyrimidine-2,4,7-trione](/api/spectrum/CSyr8KItCPA/structure.png?h=300&w=458 "5-(4-Hydroxy-3-methoxyphenyl)-1-methyl-3H,5H,6H,8H-[1,3]diazino[4,5-D]pyrimidine-2,4,7-trione")
