Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C44H36N4/c1-5-25-45-41(9-1)21-17-37-29-34-15-16-36-32-39(19-23-43-11-3-7-27-47-43)35(31-40(36)20-24-44-12-4-8-28-48-44)14-13-33(37)30-38(34)18-22-42-10-2-6-26-46-42/h1-12,17-32H,13-16H2/b21-17+,22-18+,23-19+,24-20+
SMILES c1ccc(nc1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1ccccn1)cc3/C=C/c1ccccn1)/C=C/c1ccccn1
InChI Key MRAPWJUTWDRYOQ-OKNOEDMOSA-N
Molecular Formula C44H36N4
Exact Mass 620.783 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MRAPWJUTWDRYOQ-OKNOEDMOSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/MRAPWJUTWDRYOQ-OKNOEDMOSA-N/CHMO0000470
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 2-[(E)-2-[11,13,15-tris[(E)-2-pyridin-2-ylethenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]ethenyl]pyridine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.