BMRB

Biological Magnetic Resonance Data Bank


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

4-[(tert-butylamino)methyl]phenol

4-[(tert-butylamino)methyl]phenol bmse012025 - Data

4-[(tert-butylamino)methyl]phenol synonyms

Wikipedia:

Graphical representations:

4-[(tert-butylamino)methyl]phenol

View large 3D structure

Molecular Formula: C11H17NO

Natural Isotopic Abundance Mass: 179.25878

Mono-Isotopic Molecular Masses:

  • C12N14: 179.131014169
  • C13N14: 190.16791738700005
  • C12N15: 180.128049062
  • C13N15: 191.16495228000005

InChI string: InChI=1S/C11H17NO/c1-11(2,3)12-8-9-4-6-10(13)7-5-9/h4-7,12-13H,8H2,1-3H3

IUPAC: b'4-[(tert-butylamino)methyl]phenol'

EU-OPENSCREEN: EOS102742

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)