Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C42H26N4S/c1-5-13-37-33(9-1)34-10-2-6-14-38(34)45(37)29-21-17-27(18-22-29)31-25-26-32(42-41(31)43-47-44-42)28-19-23-30(24-20-28)46-39-15-7-3-11-35(39)36-12-4-8-16-40(36)46/h1-26H
SMILES s1nc2c(n1)c(ccc2c1ccc(cc1)n1c2ccccc2c2c1cccc2)c1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI Key RPBYPZXQKQQVGG-UHFFFAOYSA-N
Exact Mass 618.748 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RPBYPZXQKQQVGG-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/RPBYPZXQKQQVGG-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 4,7-bis(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17125597 surechembl
    31256583 surechembl
    118404999 pubchem
    The data in this table is sourced from UniChem at EBI.