| SpectraBase Spectrum ID |
19eAd8algBq |
| Name |
5-(Cyclohexa-1',3'-dienyl)-3,5-dimethyl-2,4,6-trioxo-1,3,5-trihydro-1,3-pyrimidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.100442316 u |
| Formula |
C12H14N2O3 |
| InChI |
InChI=1S/C12H14N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h3-4,6H,5,7H2,1-2H3,(H,13,15,17) |
| InChIKey |
GWRARVFKTHJLSG-UHFFFAOYSA-N |
| Molecular Weight |
234.255 g/mol |
| SMILES |
C1(N(C(NC(C1(C1=CC=CCC1)C)=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984989 |
