Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C76H62N2O4S2/c1-79-67-37-29-63(30-38-67)77(64-31-39-68(80-2)40-32-64)61-25-21-59(22-26-61)75-47-45-73(83-75)57-17-13-55(14-18-57)71-49-51-5-6-52-8-10-54(12-11-53(71)9-7-51)72(50-52)56-15-19-58(20-16-56)74-46-48-76(84-74)60-23-27-62(28-24-60)78(65-33-41-69(81-3)42-34-65)66-35-43-70(82-4)44-36-66/h7-10,13-50H,5-6,11-12H2,1-4H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc(s1)c1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1c1ccc(cc1)c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC
InChI Key KQANGQZHEBOIGS-UHFFFAOYSA-N
Molecular Formula C76H62N2O4S2
Exact Mass 1131.446 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KQANGQZHEBOIGS-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/KQANGQZHEBOIGS-UHFFFAOYSA-N/CHMO0000630
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • 4-[5-[4-[12-[4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.