Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C36H28N4/c1-2-30-22-36(28-11-19-40-20-12-28)32(24-35(30)27-9-17-39-18-10-27)4-3-31-23-33(25-5-13-37-14-6-25)29(1)21-34(31)26-7-15-38-16-8-26/h5-24H,1-4H2
SMILES n1ccc(cc1)c1cc2CCc3cc(c(CCc1cc2c1ccncc1)cc3c1ccncc1)c1ccncc1
InChI Key MRFMWLNWLYEWRZ-UHFFFAOYSA-N
Molecular Formula C36H28N4
Exact Mass 516.634 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MRFMWLNWLYEWRZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/MRFMWLNWLYEWRZ-UHFFFAOYSA-N/CHMO0000470
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 4-(11,13,15-tripyridin-4-yl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl)pyridine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20767385 PubChem
    The data in this table is sourced from UniChem at EBI.