Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H6INO2/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-4H,1H3
SMILES COC(=O)c1ccc(cc1I)C#N
InChI Key BXYAANQVTNCINX-UHFFFAOYSA-N
Molecular Formula C9H6INO2
Exact Mass 287.054 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BXYAANQVTNCINX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BXYAANQVTNCINX-UHFFFAOYSA-N/CHMO0000595
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-06-02
Related Molecule
  • methyl 4-cyano-2-iodobenzoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16632806 surechembl
    99770181 pubchem
    The data in this table is sourced from UniChem at EBI.