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-methyl-N-(thiophen-2-ylmethyl)benzamide

4-methyl-N-(thiophen-2-ylmethyl)benzamide bmse012181 - Data

4-methyl-N-(thiophen-2-ylmethyl)benzamide synonyms

Wikipedia:

Graphical representations:

4-methyl-N-(thiophen-2-ylmethyl)benzamide

View large 3D structure

Molecular Formula: C13H13NOS

Natural Isotopic Abundance Mass: 231.31341999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 231.071785041
  • C13N14: 244.11539793500006
  • C12N15: 232.068819934
  • C13N15: 245.11243282800007

InChI string: InChI=1S/C13H13NOS/c1-10-4-6-11(7-5-10)13(15)14-9-12-3-2-8-16-12/h2-8H,9H2,1H3,(H,14,15)

IUPAC: b'4-methyl-N-(thiophen-2-ylmethyl)benzamide'

EU-OPENSCREEN: EOS102911

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)