BMRB

Biological Magnetic Resonance Data Bank


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

Phenylmethanol

Phenylmethanol bmse012679 - Data

Phenylmethanol synonyms

Wikipedia:

Graphical representations:

phenylmethanol

View large 3D structure

Molecular Formula: C7H8O

Natural Isotopic Abundance Mass: 108.13781999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 108.057514876
  • C13N14: 115.08099874200002
  • C12N15: 108.057514876
  • C13N15: 115.08099874200002

InChI string: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

IUPAC: b'phenylmethanol'

BMRB Ligand Expo: 010
EU-OPENSCREEN: EOS103518

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)