Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C50H37N7/c1-2-3-12-35-32-55(54-53-35)50-31-51-44-29-42(33-21-25-36(26-22-33)56-46-17-8-4-13-38(46)39-14-5-9-18-47(39)56)43(30-45(44)52-50)34-23-27-37(28-24-34)57-48-19-10-6-15-40(48)41-16-7-11-20-49(41)57/h4-11,13-32H,2-3,12H2,1H3
SMILES CCCCc1nnn(c1)c1cnc2c(n1)cc(c(c2)c1ccc(cc1)n1c2ccccc2c2c1cccc2)c1ccc(cc1)n1c2ccccc2c2c1cccc2
InChI Key FDYWNIUHHHTQCD-UHFFFAOYSA-N
Exact Mass 735.876 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FDYWNIUHHHTQCD-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/FDYWNIUHHHTQCD-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 9-[4-[2-(4-butyltriazol-1-yl)-7-(4-carbazol-9-ylphenyl)quinoxalin-6-yl]phenyl]carbazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.