Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C63H36IN7O/c64-39-35-33-38(34-36-39)62-66-67-63(72-62)57-58(68-49-25-9-1-17-40(49)41-18-2-10-26-50(41)68)48(37-65)59(69-51-27-11-3-19-42(51)43-20-4-12-28-52(43)69)61(71-55-31-15-7-23-46(55)47-24-8-16-32-56(47)71)60(57)70-53-29-13-5-21-44(53)45-22-6-14-30-54(45)70/h1-36H
SMILES N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2ccc(cc2)I)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key TYASFKRZOWIMFL-UHFFFAOYSA-N
Molecular Formula C63H36IN7O
Exact Mass 1033.911 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TYASFKRZOWIMFL-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/TYASFKRZOWIMFL-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-iodophenyl)-1,3,4-oxadiazol-2-yl]benzonitrile
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453616 PubChem
    The data in this table is sourced from UniChem at EBI.