Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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6-Methylhept-5-en-2-one synonyms



Graphical representations:


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Molecular Formula: C8H14O

Natural Isotopic Abundance Mass: 126.19616

Mono-Isotopic Molecular Masses:

  • C12N14: 126.104465068
  • C13N14: 134.131303772
  • C12N15: 126.104465068
  • C13N15: 134.131303772

InChI string: InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

MMCD: cq_04299
PDB Compound ID: 0VT
PubChem Compound (CID): 9862

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,