| SpectraBase Spectrum ID |
7OiQLnB7LRH |
| Name |
1,3,4,4A,5,8A-Hexahydro-1,3-dimethyl-2,4-dioxo-2H-pyrano[2,3-D]pyrimidine-7-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.080041223 u |
| Formula |
C10H11N3O3 |
| InChI |
InChI=1S/C10H11N3O3/c1-12-8(14)7-4-3-6(5-11)16-9(7)13(2)10(12)15/h3,7,9H,4H2,1-2H3/t7-,9-/m0/s1 |
| InChIKey |
SUUGXCSWEKTQMD-CBAPKCEASA-N |
| Molecular Weight |
221.216 g/mol |
| SMILES |
C1(N([C@@]2([C@](C(N1C)=O)(CC=C(O2)C#N)[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945678 |
![1,3,4,4a,5,8a-Hexahydro-1,3-dimethyl-2,4-dioxo-2H-pyrano[2,3-d]pyrimidine-7-carbonitrile](/api/spectrum/7OiQLnB7LRH/structure.png?h=300&w=458 "1,3,4,4a,5,8a-Hexahydro-1,3-dimethyl-2,4-dioxo-2H-pyrano[2,3-d]pyrimidine-7-carbonitrile")
