4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenol

4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenol bmse011625 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C16H17NO

Natural Isotopic Abundance Mass: 239.3122799999998

Mono-Isotopic Molecular Masses:

  • C12N14: 239.131014169
  • C13N14: 255.18469157700008
  • C12N15: 240.128049062
  • C13N15: 256.1817264700001

InChI string: InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2

IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenol

wwPDB CCD: O3M

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)