Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3
SMILES COC(=O)c1cc(F)c(cc1F)N
InChI Key WFHMJOPCOWABHH-UHFFFAOYSA-N
Molecular Formula C8H7F2NO2
Exact Mass 187.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WFHMJOPCOWABHH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WFHMJOPCOWABHH-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-14
Related Molecule
  • methyl 4-amino-2,5-difluorobenzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    67271045 PubChem
    ZINC000095803906 ZINC
    DTXSID50736721 EPA CompTox Dashboard
    CB72639818 ChemicalBook
    SCHEMBL2080318 SureChEMBL
    The data in this table is sourced from UniChem at EBI.