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-ethylphenol

2-ethylphenol bmse012119 - Data

2-ethylphenol synonyms

Wikipedia:

Graphical representations:

2-ethylphenol

View large 3D structure

Molecular Formula: C8H10O

Natural Isotopic Abundance Mass: 122.1644

Mono-Isotopic Molecular Masses:

  • C12N14: 122.07316494
  • C13N14: 130.10000364400003
  • C12N15: 122.07316494
  • C13N15: 130.10000364400003

InChI string: InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3

IUPAC: b'2-Ethylphenol'

BMRB Ligand Expo: JZ1
EU-OPENSCREEN: EOS102844

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)