Biological Magnetic Resonance Data Bank

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

Tributyl Phosphate

Graphical representations:


View large 3D structure

Molecular Formula: C12H27O4P

Natural Isotopic Abundance Mass: 266.314141

Mono-Isotopic Molecular Masses:

  • C12N14: 266.1646958651
  • C13N14: 278.2049539187
  • C12N15: 266.1646958651
  • C13N15: 278.2049539187

InChI string: InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3

PubChem Compound (CID): 31357
MDL: MFCD00009436
CAS Registry number: 126-73-8
MMCD: cq_10277
CAS Registry number: 126-73-8
Sigma-Aldrich: 00675_FLUKA
ChEBI: CHEBI:35019
EPA DSSTox: 34066
KEGG Compound ID: C14439
ChemDB: 3969627
NIST Chemistry WebBook: 2623568929

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,