Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C44H28N18/c45-57-51-37-17-5-31(6-18-37)43(32-7-19-38(20-8-32)52-58-46,33-9-21-39(22-10-33)53-59-47)29-1-2-30(4-3-29)44(34-11-23-40(24-12-34)54-60-48,35-13-25-41(26-14-35)55-61-49)36-15-27-42(28-16-36)56-62-50/h1-28H
SMILES [N-]=[N+]=Nc1ccc(cc1)C(c1ccc(cc1)N=[N+]=[N-])(c1ccc(cc1)N=[N+]=[N-])c1ccc(cc1)C(c1ccc(cc1)N=[N+]=[N-])(c1ccc(cc1)N=[N+]=[N-])c1ccc(cc1)N=[N+]=[N-]
InChI Key XBMPWLBNOBSWSA-UHFFFAOYSA-N
Molecular Formula C44H28N18
Exact Mass 808.814 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XBMPWLBNOBSWSA-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XBMPWLBNOBSWSA-UHFFFAOYSA-N/CHMO0000595
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-01
Related Molecule
  • 1,4-bis[tris(4-azidophenyl)methyl]benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166638632 pubchem
    The data in this table is sourced from UniChem at EBI.