| SpectraBase Compound ID | 4ojZrQB8OJi |
|---|---|
| InChI | InChI=1S/C6H6N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1H,2H2,(H3,8,9,10,11,12) |
| InChIKey | MYJNEEHZESREMO-UHFFFAOYSA-N |
| Mol Weight | 166.14 g/mol |
| Molecular Formula | C6H6N4O2 |
| Exact Mass | 166.049075 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ENEeRBsUlTF |
|---|---|
| Name | 7,8-Dihydro-2,4(1H,3H)-pteridinedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.049075447 u |
| Formula | C6H6N4O2 |
| InChI | InChI=1S/C6H6N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1H,2H2,(H3,8,9,10,11,12) |
| InChIKey | MYJNEEHZESREMO-UHFFFAOYSA-N |
| SMILES | C1(NC(C2=C(N1)NCC=N2)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948831 |