BMRB

Biological Magnetic Resonance Data Bank


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

2,5-dimethyl-N-propan-2-ylbenzamide

2,5-dimethyl-N-propan-2-ylbenzamide bmse012481 - Data

2,5-dimethyl-N-propan-2-ylbenzamide synonyms

Wikipedia:

Graphical representations:

2,5-dimethyl-N-propan-2-ylbenzamide

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Molecular Formula: C12H17NO

Natural Isotopic Abundance Mass: 191.26948000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 191.131014169
  • C13N14: 203.17127222500005
  • C12N15: 192.128049062
  • C13N15: 204.16830711800006

InChI string: InChI=1S/C12H17NO/c1-8(2)13-12(14)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3,(H,13,14)

EU-OPENSCREEN: EOS103247

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)