Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H18Br2N2O4S2/c1-13-3-7-15(8-4-13)29(25,26)23-19-11-17(21)18(22)12-20(19)24-30(27,28)16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3
SMILES Brc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1Br)NS(=O)(=O)c1ccc(cc1)C
InChI Key HQTDELJACHUANE-UHFFFAOYSA-N
Molecular Formula C20H18Br2N2O4S2
Exact Mass 574.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HQTDELJACHUANE-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/HQTDELJACHUANE-UHFFFAOYSA-N/CHMO0000630
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-12-10
Related Molecule
  • N-[4,5-dibromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    152190832 PubChem: Thomson Pharma
    614422 eMolecules
    SCHEMBL5956125 SureChEMBL
    ZINC000000625527 ZINC
    MCULE-9145087104 Mcule
    4169866 PubChem
    The data in this table is sourced from UniChem at EBI.