![1,3,4,4a,5,8a-Hexahydro-1,3-dimethyl-2,4-dioxo-2H-pyrano[2,3-d]pyrimidine-7-carbonitrile](/api/spectrum/ItIirxKJm48/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")
| SpectraBase Compound ID | 5pe7pHXSG6w |
|---|---|
| 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 |
| Mol Weight | 221.22 g/mol |
| Molecular Formula | C10H11N3O3 |
| Exact Mass | 221.080041 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ItIirxKJm48 |
|---|---|
| Name | 1,3,4,4a,5,8a-Hexahydro-1,3-dimethyl-2,4-dioxo-2H-pyrano[2,3-d]pyrimidine-7-carbonitrile |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| SPLASH | splash10-001l-9710000000-0f0b3a1b0ec5bf219d33 |
| Source of Spectrum | H-76-1920-3 |
| Synonyms | (4aR,8aS)-1,3-Dimethyl-2,4-dioxo-1,3,4,4a,5,8a-hexahydro-2H-pyrano[2,3-d]pyrimidine-7-carbonitrile 1,3-Dimethyl-2,4-dioxo-1,3,4,4a,5,8a-hexahydro-2H-pyrano[2,3-d]pyrimidine-7-carbonitrile (4aR,8aS)-1,3-dimethyl-2,4-dioxo-5,8a-dihydro-4aH-pyrano[2,3-d]pyrimidine-7-carbonitrile (4aR,8aS)-1,3-dimethyl-2,4-bis(oxidanylidene)-5,8a-dihydro-4aH-pyrano[2,3-d]pyrimidine-7-carbonitrile |
| Wiley ID | 1221099 |