| SpectraBase Compound ID | IW0E7Nii6O4 |
|---|---|
| InChI | InChI=1S/C7H6N4O2/c1-11-3-2-8-4-5(11)9-7(13)10-6(4)12/h2-3H,1H3,(H,10,12,13) |
| InChIKey | FEVFINCNKRMCDL-UHFFFAOYSA-N |
| Mol Weight | 178.15 g/mol |
| Molecular Formula | C7H6N4O2 |
| Exact Mass | 178.049075 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KORpzWHaSAh |
|---|---|
| Name | 2,4(1H,3H)-Pteridinedione, 8-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.049075447 u |
| Formula | C7H6N4O2 |
| InChI | InChI=1S/C7H6N4O2/c1-11-3-2-8-4-5(11)9-7(13)10-6(4)12/h2-3H,1H3,(H,10,12,13) |
| InChIKey | FEVFINCNKRMCDL-UHFFFAOYSA-N |
| Molecular Weight | 178.151 g/mol |
| SMILES | C1(=O)C=2C(=NC(N1)=O)N(C)C=CN2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96758 |