BMRB

Biological Magnetic Resonance Data Bank


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

N-(4-hydroxy-3-methylphenyl)propanamide

N-(4-hydroxy-3-methylphenyl)propanamide bmse012431 - Data

N-(4-hydroxy-3-methylphenyl)propanamide synonyms

Wikipedia:

Graphical representations:

N-(4-hydroxy-3-methylphenyl)propanamide

View large 3D structure

Molecular Formula: C10H13NO2

Natural Isotopic Abundance Mass: 179.21572

Mono-Isotopic Molecular Masses:

  • C12N14: 179.094628661
  • C13N14: 189.12817704100004
  • C12N15: 180.091663554
  • C13N15: 190.12521193400005

InChI string: InChI=1S/C10H13NO2/c1-3-10(13)11-8-4-5-9(12)7(2)6-8/h4-6,12H,3H2,1-2H3,(H,11,13)

EU-OPENSCREEN: EOS103186

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)