Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C7H6ClF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2
SMILES Nc1cc(cc(c1N)Cl)C(F)(F)F
InChI Key NVNLHLRVSHJKBN-UHFFFAOYSA-N
Molecular Formula C7H6ClF3N2
Exact Mass 210.584 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NVNLHLRVSHJKBN-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NVNLHLRVSHJKBN-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-03-21
Related Molecule
  • 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL904486 SureChEMBL
    194656 ChEBI
    DTXSID90352828 EPA CompTox Dashboard
    CB6238696 ChemicalBook
    ZINC000000152845 ZINC
    MCULE-6698513159 Mcule
    735784 PubChem
    132915-80-1 ACToR
    716742 eMolecules
    The data in this table is sourced from UniChem at EBI.