Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C29H26N2O/c32-29(31(26-7-3-1-4-8-26)27-9-5-2-6-10-27)30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21H,15-17,19H2,(H,30,32)
SMILES O=C(N(c1ccccc1)c1ccccc1)Nc1cc2ccc1CCc1ccc(CC2)cc1
InChI Key KSCRQNQAPBADDS-UHFFFAOYSA-N
Molecular Formula C29H26N2O
Exact Mass 418.530 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KSCRQNQAPBADDS-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/KSCRQNQAPBADDS-UHFFFAOYSA-N/CHMO0000630
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 1,1-diphenyl-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)urea
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162394345 pubchem
    The data in this table is sourced from UniChem at EBI.