BMRB

Biological Magnetic Resonance Data Bank


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

benzamide

Graphical representations:

benzamide image

Molecular Formula: C7 H7 N O

Natural Isotopic Abundance Mass: 121.13658

Mono-Isotopic Molecular Masses:

  • C12N14: 121.052763852
  • C13N14: 128.0762477166
  • C12N15: 122.0497987452
  • C13N15: 129.0732826098

InCHi String: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

canonical and isomeric SMILES: C1=CC=C(C=C1)C(=O)N

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
benzamide

PubChem Substance (SID):   111677806   12003   26675623
PubChem Compound (CID):   2331
KEGG: Compound ID   C09815
CAS Registry IDs:   55-21-0
PDB Chemical Component   UNU
Miscellaneous Databases and IDs:   Sigma-Aldrich 150762_ALDRICH   EPA DSSTox 49338   ChEBI CHEBI:28179   Emory University Molecular Libraries Screening Center EU-0100160   ZINC ZINC00152996   ChemSpider 11200453   NMRShiftDB 10008844   NIST Chemistry WebBook 114293075   MMCD cq_06486   MDL MFCD00007968

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.