| SpectraBase Compound ID | F8wK2UUQaN |
|---|---|
| InChI | InChI=1S/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9) |
| InChIKey | ZQKXQUJXLSSJCH-UHFFFAOYSA-N |
| Mol Weight | 255.198 g/mol |
| Molecular Formula | C6H9N9O3 |
| Exact Mass | 255.082835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cLuZfWcGLv |
|---|---|
| Name | Cyanuric acid, compound with melamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.082835183 u |
| Formula | C6H9N9O3 |
| InChI | InChI=1S/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9) |
| InChIKey | ZQKXQUJXLSSJCH-UHFFFAOYSA-N |
| SMILES | C=1(N=C(N=C(N1)N)N)N.C1(NC(NC(N1)=O)=O)=O |