Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C28H28N2.2HI/c1-29-15-11-25(12-16-29)27-19-21-3-7-23(27)9-5-22-4-8-24(10-6-21)28(20-22)26-13-17-30(2)18-14-26;;/h3-4,7-8,11-20H,5-6,9-10H2,1-2H3;2*1H/q+2;;/p-2
SMILES C[n+]1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3c1cc[n+](cc1)C.[I-].[I-]
InChI Key PNLSHCRELKSQPL-UHFFFAOYSA-L
Molecular Formula C28H28I2N2
Exact Mass 646.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PNLSHCRELKSQPL-UHFFFAOYSA-L/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/PNLSHCRELKSQPL-UHFFFAOYSA-L/CHMO0000630
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 1-methyl-4-[11-(1-methylpyridin-1-ium-4-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]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.