BMRB

Biological Magnetic Resonance Data Bank


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

Guaiacol Glyceryl Ether Carbamate

Guaiacol Glyceryl Ether Carbamate synonyms

Wikipedia:

Graphical representations:

Guaiacol

View large 3D structure

Molecular Formula: C11H15NO5

Natural Isotopic Abundance Mass: 241.2405

Mono-Isotopic Molecular Masses:

  • C12N14: 241.095022585
  • C13N14: 252.131925803
  • C12N15: 242.092057478
  • C13N15: 253.128960696

InChI string: InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m0/s1

PubChem Compound (CID): 4107

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)