![1,5-Dihydrofuro[3,4-D]pyrimidine-2,4,7(3H)-trione](/api/spectrum/JYaEqtix7Rv/structure.png?h=300&w=458 "1,5-Dihydrofuro[3,4-D]pyrimidine-2,4,7(3H)-trione")
| SpectraBase Compound ID | ICIlhwjYqsV |
|---|---|
| InChI | InChI=1S/C6H4N2O4/c9-4-2-1-12-5(10)3(2)7-6(11)8-4/h1H2,(H2,7,8,9,11) |
| InChIKey | MFHLWNMYHQMDMV-UHFFFAOYSA-N |
| Mol Weight | 168.11 g/mol |
| Molecular Formula | C6H4N2O4 |
| Exact Mass | 168.017107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JYaEqtix7Rv |
|---|---|
| Name | 1,5-Dihydrofuro[3,4-D]pyrimidine-2,4,7(3H)-trione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.017106613 u |
| Formula | C6H4N2O4 |
| InChI | InChI=1S/C6H4N2O4/c9-4-2-1-12-5(10)3(2)7-6(11)8-4/h1H2,(H2,7,8,9,11) |
| InChIKey | MFHLWNMYHQMDMV-UHFFFAOYSA-N |
| Molecular Weight | 168.108 g/mol |
| SMILES | C1(NC(=O)C=2COC(C2N1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973076 |