Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H6F5N3O2/c1-20-8(19)9(12,10(13,14)15)5-2-3-7(17-18-16)6(11)4-5/h2-4H,1H3
SMILES [N-]=[N+]=Nc1ccc(cc1F)C(C(F)(F)F)(C(=O)OC)F
InChI Key XFWBDHISOXNVBN-UHFFFAOYSA-N
Molecular Formula C10H6F5N3O2
Exact Mass 295.166 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XFWBDHISOXNVBN-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/XFWBDHISOXNVBN-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 2-(4-azido-3-fluorophenyl)-2,3,3,3-tetrafluoropropanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427436 pubchem
    The data in this table is sourced from UniChem at EBI.