Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C11H8F5N3O2/c1-2-21-9(20)6-3-4-8(18-19-17)7(5-6)10(12,13)11(14,15)16/h3-5H,2H2,1H3
SMILES CCOC(=O)c1ccc(c(c1)C(C(F)(F)F)(F)F)N=[N+]=[N-]
InChI Key AJRAESGZEDKKBE-UHFFFAOYSA-N
Molecular Formula C11H8F5N3O2
Exact Mass 309.192 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AJRAESGZEDKKBE-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/AJRAESGZEDKKBE-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • ethyl 4-azido-3-(1,1,2,2,2-pentafluoroethyl)benzoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    72193124 pubchem
    The data in this table is sourced from UniChem at EBI.