Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


Graphical representations:


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Molecular Formula: C14H10Cl4

Natural Isotopic Abundance Mass: 320.0412

Mono-Isotopic Molecular Masses:

  • C12N14: 317.953661161
  • C13N14: 332.0006288902
  • C12N15: 317.953661161
  • C13N15: 332.0006288902

InChI string: InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H

Beilstein Registry Number: 1914072
CAS Registry number: 72-54-8
CAS Registry number: 72-54-8
ChEBI: CHEBI:27841
EPA DSSTox: 32132
KEGG Compound ID: C06636
MDL number: MFCD00000851
MMCD: cq_03811
NIST Chemistry WebBook: 2029558101
PubChem Compound (CID): 6294
Sigma-Aldrich: 35486_RIEDEL

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,