| SpectraBase Spectrum ID |
Gt8R2DGdow7 |
| Name |
Barbituric acid, 5,5-diallyl-1,3-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.116092380 u |
| Formula |
C12H16N2O3 |
| InChI |
InChI=1S/C12H16N2O3/c1-5-7-12(8-6-2)9(15)13(3)11(17)14(4)10(12)16/h5-6H,1-2,7-8H2,3-4H3 |
| InChIKey |
MCTNRBUJWLUDJG-UHFFFAOYSA-N |
| Molecular Weight |
236.271 g/mol |
| SMILES |
C(C=C)C1(CC=C)C(=O)N(C)C(N(C1=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93598 |
