bmse011445 NMR Quality Control Of Fragment Libraries For Screening at BMRB

(3,4,5-trimethoxyphenyl)methanamine;hydrochloride

(3,4,5-trimethoxyphenyl)methanamine;hydrochloride bmse011445 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

View large 3D structure

Molecular Formula: C10H16ClNO3

Natural Isotopic Abundance Mass: 233.69193999999987

Mono-Isotopic Molecular Masses:

C12N14: 233.081871057
C13N14: 243.11541943700004
C12N15: 234.07890595
C13N15: 244.11245433000005

InChI string: InChI=1S/C10H15NO3.ClH/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3;/h4-5H,6,11H2,1-3H3;1H

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)