BMRB

Biological Magnetic Resonance Data Bank


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

2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one synonyms

L-Carvone

Wikipedia:

Graphical representations:

2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

View large 3D structure

Molecular Formula: C10H14O

Natural Isotopic Abundance Mass: 150.21756

Mono-Isotopic Molecular Masses:

  • C12N14: 150.104465068
  • C13N14: 160.138013448
  • C12N15: 150.104465068
  • C13N15: 160.138013448

InChI string: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1

PDB Compound ID: 07V
PubChem Compound (CID): 439570

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, https://www.nature.com/articles/sdata201773)