Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C8H6IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
SMILES Ic1ccc2c(c1)[nH]cc2
InChI Key UYFYWUXBZHYQRM-UHFFFAOYSA-N
Molecular Formula C8H6IN
Exact Mass 243.044 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UYFYWUXBZHYQRM-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/UYFYWUXBZHYQRM-UHFFFAOYSA-N/CHMO0001150
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 6-iodo-1H-indole
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB32452233 ChemicalBook
    DTXSID60451352 EPA CompTox Dashboard
    J2.076.890H Nikkaji
    ZINC000042689367 ZINC
    19232190 eMolecules
    10999215 PubChem
    16059033 PubChem: Thomson Pharma
    SCHEMBL566682 SureChEMBL
    The data in this table is sourced from UniChem at EBI.