| SpectraBase Spectrum ID |
93jUTXsZs6a |
| Name |
Cyanuric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
108-80-5
134016-52-7
2624-17-1
3047-33-4
36452-21-8
40580-20-9
504-19-8 |
| ChEBI ID |
17696 |
| Comments |
saturated N/A cyanuric acid - vendor: Aldrich 18580-9; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C3 H3 N3 O3 |
| IUPAC Name |
1,3,5-triazinane-2,4,6-trione |
| InChI |
InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9) |
| InChIKey |
ZFSLODLOARCGLH-UHFFFAOYSA-N |
| KEGG Compound ID |
C06554 |
| KEGG Pathways |
PATH: map00791 Atrazine degradation |
| PubChem Compound ID |
7956 |
| SMILES |
C1(=O)NC(=O)NC(=O)N1 |
| Source File Reference |
bmse000135 |
