Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C30H27N9/c1-19(34-37-31)22-4-10-25(11-5-22)28-16-29(26-12-6-23(7-13-26)20(2)35-38-32)18-30(17-28)27-14-8-24(9-15-27)21(3)36-39-33/h4-21H,1-3H3
SMILES CC(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(N=[N+]=[N-])C)c1ccc(cc1)C(N=[N+]=[N-])C)N=[N+]=[N-]
InChI Key RNRYSLXINHXKTK-UHFFFAOYSA-N
Molecular Formula C30H27N9
Exact Mass 513.596 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RNRYSLXINHXKTK-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RNRYSLXINHXKTK-UHFFFAOYSA-N/CHMO0000595
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-01
Related Molecule
  • 1,3,5-tris[4-(1-azidoethyl)phenyl]benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    166638634 pubchem
    The data in this table is sourced from UniChem at EBI.