BMRB

Biological Magnetic Resonance Data Bank


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

3-ethoxy-5-methyl-1H-pyrazole

3-ethoxy-5-methyl-1H-pyrazole bmse012304 - Data

3-ethoxy-5-methyl-1H-pyrazole synonyms

Wikipedia:

Graphical representations:

3-ethoxy-5-methyl-1H-pyrazole

View large 3D structure

Molecular Formula: C6H10N2O

Natural Isotopic Abundance Mass: 126.15639999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 126.07931295
  • C13N14: 132.09944197800002
  • C12N15: 128.073382736
  • C13N15: 134.09351176400003

InChI string: InChI=1S/C6H10N2O/c1-3-9-6-4-5(2)7-8-6/h4H,3H2,1-2H3,(H,7,8)

IUPAC: b'3-ethoxy-5-methyl-1H-pyrazole'

EU-OPENSCREEN: EOS103047

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)