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Biological Magnetic Resonance Data Bank


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

3-(cyclopropanecarbonylamino)-N,N-dimethylbenzamide

3-(cyclopropanecarbonylamino)-N,N-dimethylbenzamide bmse012151 - Data

3-(cyclopropanecarbonylamino)-N,N-dimethylbenzamide synonyms

Wikipedia:

Graphical representations:

3-(cyclopropanecarbonylamino)-N,N-dimethylbenzamide

View large 3D structure

Molecular Formula: C13H16N2O2

Natural Isotopic Abundance Mass: 232.27834

Mono-Isotopic Molecular Masses:

  • C12N14: 232.121177762
  • C13N14: 245.16479065600006
  • C12N15: 234.115247548
  • C13N15: 247.15886044200008

InChI string: InChI=1S/C13H16N2O2/c1-15(2)13(17)10-4-3-5-11(8-10)14-12(16)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,14,16)

EU-OPENSCREEN: EOS102877

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)