Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2-methyl-5-propan-2-ylcyclohexa-1,3-diene synonyms



Graphical representations:


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Molecular Formula: C10H16

Natural Isotopic Abundance Mass: 136.23404

Mono-Isotopic Molecular Masses:

  • C12N14: 136.125200512
  • C13N14: 146.158748892
  • C12N15: 136.125200512
  • C13N15: 146.158748892

InChI string: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1

MMCD: cq_06544
PubChem Compound (CID): 442482

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,