Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C34H34N3.3HI/c1-35-16-10-27(11-17-35)32-22-25-4-6-26(32)8-9-31-24-33(28-12-18-36(2)19-13-28)30(7-5-25)23-34(31)29-14-20-37(3)21-15-29;;;/h4,6,10-24H,5,7-9H2,1-3H3;3*1H/q+3;;;/p-3
SMILES C[n+]1ccc(cc1)c1cc2CCc3ccc(CCc1cc2c1cc[n+](cc1)C)c(c3)c1cc[n+](cc1)C.[I-].[I-].[I-]
InChI Key JOPKLEIRDAALPY-UHFFFAOYSA-K
Molecular Formula C34H34I3N3
Exact Mass 865.367 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JOPKLEIRDAALPY-UHFFFAOYSA-K/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/JOPKLEIRDAALPY-UHFFFAOYSA-K/CHMO0000470
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:09:31.437318
MetadataModified 2024-09-08T04:09:31.437323
MetadataPublished 2024-07-10
Related Molecule
  • 4-[11,13-bis(1-methylpyridin-1-ium-4-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-1-methylpyridin-1-ium;triiodide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.