| SpectraBase Compound ID | 1JWDAfcss7d |
|---|---|
| InChI | InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H2,(H,9,12)(H4,7,8,10,11,13) |
| InChIKey | JLRDKNBQJOODBP-UHFFFAOYSA-N |
| Mol Weight | 181.16 g/mol |
| Molecular Formula | C6H7N5O2 |
| Exact Mass | 181.059974 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Q1ds7Qywsl |
|---|---|
| Name | 2-Amino-3,5,7,8-tetrahydro-4,6-pteridinedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.059974483 u |
| Formula | C6H7N5O2 |
| InChI | InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H2,(H,9,12)(H4,7,8,10,11,13) |
| InChIKey | JLRDKNBQJOODBP-UHFFFAOYSA-N |
| SMILES | C1(CNC2=C(N1)C(NC(=N2)N)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910312 |