Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C26H24N2.2ClH/c1-27-17-13-21(14-18-27)9-11-24-7-3-5-23-6-4-8-25(26(23)24)12-10-22-15-19-28(2)20-16-22;;/h3-20H,1-2H3;2*1H/q+2;;/p-2/b11-9+,12-10+;;
SMILES C[n+]1ccc(cc1)/C=C/c1cccc2c1c(ccc2)/C=C/c1cc[n+](cc1)C.[Cl-].[Cl-]
InChI Key VIRCVYOPUFMLML-JDDKLYJPSA-L
Molecular Formula C26H24Cl2N2
Exact Mass 435.388 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VIRCVYOPUFMLML-JDDKLYJPSA-L/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VIRCVYOPUFMLML-JDDKLYJPSA-L/CHMO0000593
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-24
Related Molecule
  • 1-methyl-4-[(E)-2-[8-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]naphthalen-1-yl]ethenyl]pyridin-1-ium;dichloride
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168008329 pubchem
    The data in this table is sourced from UniChem at EBI.