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/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
SMILES Ic1cccnc1N
InChI Key UUDNBWSHTUFGDQ-UHFFFAOYSA-N
Molecular Formula C5H5IN2
Exact Mass 220.011 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UUDNBWSHTUFGDQ-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/UUDNBWSHTUFGDQ-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-30
Related Molecule
  • 3-iodopyridin-2-amine
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-8558730203 Mcule
    J931.358C Nikkaji
    CB4704524 ChemicalBook
    DTXSID50376767 EPA CompTox Dashboard
    ZINC000019735470 ZINC
    728710 eMolecules
    29205950 PubChem: Thomson Pharma
    104830-06-0 ACToR
    SCHEMBL312305 SureChEMBL
    2763151 PubChem
    The data in this table is sourced from UniChem at EBI.