| SpectraBase Compound ID | 9GrBx0HcWRL |
|---|---|
| InChI | InChI=1S/C4H4N4O4/c5-2-1(8(11)12)3(9)7-4(10)6-2/h(H4,5,6,7,9,10) |
| InChIKey | SNNFJRQZJGEAQU-UHFFFAOYSA-N |
| Mol Weight | 172.1 g/mol |
| Molecular Formula | C4H4N4O4 |
| Exact Mass | 172.023255 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1DqtTWZCXPh |
|---|---|
| Name | Pyrimidine-2,4(1H,3H)-dione, 6-amino-5-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.023254621 u |
| Formula | C4H4N4O4 |
| InChI | InChI=1S/C4H4N4O4/c5-2-1(8(11)12)3(9)7-4(10)6-2/h(H4,5,6,7,9,10) |
| InChIKey | SNNFJRQZJGEAQU-UHFFFAOYSA-N |
| SMILES | C1(=C(NC(NC1=O)=O)N)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939511 |