Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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3-(1H-indol-3-yl)prop-2-enoic Acid

3-(1H-indol-3-yl)prop-2-enoic Acid synonyms

3-Indoleacrylic acid


Graphical representations:


View large 3D structure

Molecular Formula: C11H9NO2

Natural Isotopic Abundance Mass: 187.19466

Mono-Isotopic Molecular Masses:

  • C12N14: 187.063328533
  • C13N14: 198.100231751
  • C12N15: 188.060363426
  • C13N15: 199.097266644

InChI string: InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+

MMCD: cq_17421
PubChem Compound (CID): 5375048

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,