Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3
SMILES CNc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key GGFYWXBSNMOKOK-UHFFFAOYSA-N
Molecular Formula C15H14N2S
Exact Mass 254.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GGFYWXBSNMOKOK-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/GGFYWXBSNMOKOK-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL330529 chembl
    178156 surechembl
    10422457 pubchem
    Molport-021-874-214 molport
    50109051 bindingdb
    The data in this table is sourced from UniChem at EBI.