Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C5H5IN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
SMILES Nc1ccncc1I
InChI Key ZGOCEDVVZKFHSY-UHFFFAOYSA-N
Molecular Formula C5H5IN2
Exact Mass 220.011 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZGOCEDVVZKFHSY-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/ZGOCEDVVZKFHSY-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-30
Related Molecule
  • 3-iodopyridin-4-amine
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB4403782 ChemicalBook
    1516510 PubChem
    DTXSID10363976 EPA CompTox Dashboard
    J977.571D Nikkaji
    ZINC000001439382 ZINC
    728785 eMolecules
    15960493 PubChem: Thomson Pharma
    SCHEMBL735030 SureChEMBL
    The data in this table is sourced from UniChem at EBI.