Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C24H24N.HI/c1-25-16-14-21(15-17-25)9-13-24-18-22-7-6-19-2-4-20(5-3-19)8-11-23(24)12-10-22;/h2-5,9-10,12-18H,6-8,11H2,1H3;1H/q+1;/p-1/b13-9+;
SMILES C[n+]1ccc(cc1)/C=C/c1cc2ccc1CCc1ccc(CC2)cc1.[I-]
InChI Key GRWXNDHDQXREIU-KJEVSKRMSA-M
Molecular Formula C24H24IN
Exact Mass 453.359 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GRWXNDHDQXREIU-KJEVSKRMSA-M/CHMO0000470.1
License URL
Source https://www.chemotion-repository.net/inchikey/GRWXNDHDQXREIU-KJEVSKRMSA-M/CHMO0000470.1
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 1-methyl-4-[(E)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethenyl]pyridin-1-ium;iodide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155908649 PubChem
    The data in this table is sourced from UniChem at EBI.