Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C32H32N2.2HI/c1-33-19-15-25(16-20-33)5-11-31-23-27-3-4-28-8-10-30(14-13-29(31)9-7-27)32(24-28)12-6-26-17-21-34(2)22-18-26;;/h5-12,15-24H,3-4,13-14H2,1-2H3;2*1H/q+2;;/p-2/b11-5+,12-6+;;
SMILES C[n+]1ccc(cc1)/C=C/c1cc2ccc1CCc1ccc(CC2)cc1/C=C/c1cc[n+](cc1)C.[I-].[I-]
InChI Key LDXRSQKGYPSETL-HUJVKZLISA-L
Molecular Formula C32H32I2N2
Exact Mass 698.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LDXRSQKGYPSETL-HUJVKZLISA-L/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LDXRSQKGYPSETL-HUJVKZLISA-L/CHMO0000630
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 1-methyl-4-[(E)-2-[12-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]ethenyl]pyridin-1-ium;diiodide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.