Biological Magnetic Resonance Data Bank

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


3_methoxybenzamide synonyms

m-Anisamide; m-Methoxybenzamide; 3-Methoxy-benzamide; 3MB


Graphical representations:


View large 3D structure

Molecular Formula: C8H9NO2

Natural Isotopic Abundance Mass: 151.16256

Mono-Isotopic Molecular Masses:

  • C12N14: 151.0633285383
  • C13N14: 159.0901672407
  • C12N15: 152.0603634315
  • C13N15: 160.0872021339

InChI string: InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)

PubChem Compound (CID): 98487
MDL: MFCD00007986
CAS Registry number: 5813-86-5
MMCD: cq_11304
CAS Registry number: 5813-86-5
ChEBI: CHEBI:305959
MMDB: 58347.2
ZINC: ZINC04521662
DTP/NCI: 209527
NIST Chemistry WebBook: 3520116462
PDB Compound ID: 3MB

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,