| SpectraBase Compound ID | 70wDAByAgoD |
|---|---|
| InChI | InChI=1S/C8H6N4O8/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18) |
| InChIKey | IWDDXZKCDHOOSF-UHFFFAOYSA-N |
| Mol Weight | 286.16 g/mol |
| Molecular Formula | C8H6N4O8 |
| Exact Mass | 286.018563 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KHzMVBAwsGa |
|---|---|
| Name | 5,5'-Dihydroxy-5,5'-bibarbituric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.018563161 u |
| Formula | C8H6N4O8 |
| InChI | InChI=1S/C8H6N4O8/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18) |
| InChIKey | IWDDXZKCDHOOSF-UHFFFAOYSA-N |
| SMILES | OC1(C(NC(NC1=O)=O)=O)C1(C(NC(NC1=O)=O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968727 |