| SpectraBase Spectrum ID |
F71tKsX0RsY |
| Name |
5-(4-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 |
302.101504943 u |
| Formula |
C14H14N4O4 |
| InChI |
InChI=1S/C14H14N4O4/c1-18-11-9(12(19)17-14(18)21)10(15-13(20)16-11)7-3-5-8(22-2)6-4-7/h3-6,10H,1-2H3,(H2,15,16,20)(H,17,19,21) |
| InChIKey |
MTFBQKCCIWXMDB-UHFFFAOYSA-N |
| Molecular Weight |
302.290 g/mol |
| SMILES |
COC1=CC=C(C=C1)C1C=2C(NC(N(C)C2NC(N1)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873407 |
![5-(4-Methoxyphenyl)-1-methyl-3H,5H,6H,8H-[1,3]diazino[4,5-D]pyrimidine-2,4,7-trione](/api/spectrum/F71tKsX0RsY/structure.png?h=300&w=458 "5-(4-Methoxyphenyl)-1-methyl-3H,5H,6H,8H-[1,3]diazino[4,5-D]pyrimidine-2,4,7-trione")
