Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C6H5IN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
SMILES Ic1ccc(c(c1)[N+](=O)[O-])N
InChI Key QVCRSYXVWPPBFJ-UHFFFAOYSA-N
Molecular Formula C6H5IN2O2
Exact Mass 264.021 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QVCRSYXVWPPBFJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QVCRSYXVWPPBFJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-07
Related Molecule
  • 4-iodo-2-nitroaniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID70463820 EPA CompTox Dashboard
    CAMSOZ CCDC
    11369072 PubChem
    16462042 PubChem: Thomson Pharma
    SCHEMBL571279 SureChEMBL
    527545 eMolecules
    ZINC000012957450 ZINC
    CB5498903 ChemicalBook
    20182151 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.