Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Cyanuric Acid

Graphical representations:


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Molecular Formula: C3H3N3O3

Natural Isotopic Abundance Mass: 129.0742200000

Mono-Isotopic Molecular Masses:

  • C12N14: 129.017440978
  • C13N14: 132.027505492
  • C12N15: 132.008545658
  • C13N15: 132.027505492

InChI string: InChI=1/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)/f/h4-6H

IUPAC: 1,3,5-triazinane-2,4,6-trione

PubChem Compound (CID): 7956
KEGG Compound ID: C06554
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: 17696
EINECS: 203-618-0
NSC: 6284
CCRIS: 5895
HSDB: 2818

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,