Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C64H36N8O/c65-37-39-33-35-40(36-34-39)63-67-68-64(73-63)58-59(69-50-25-9-1-17-41(50)42-18-2-10-26-51(42)69)49(38-66)60(70-52-27-11-3-19-43(52)44-20-4-12-28-53(44)70)62(72-56-31-15-7-23-47(56)48-24-8-16-32-57(48)72)61(58)71-54-29-13-5-21-45(54)46-22-6-14-30-55(46)71/h1-36H
SMILES N#Cc1ccc(cc1)c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key JUYJSFSZARWDPQ-UHFFFAOYSA-N
Molecular Formula C64H36N8O
Exact Mass 933.024 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JUYJSFSZARWDPQ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/JUYJSFSZARWDPQ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453713 PubChem
    The data in this table is sourced from UniChem at EBI.