Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C48H41N5/c1-47(2,3)31-25-33-34-26-32(48(4,5)6)28-36(46-42(30-19-11-8-12-20-30)50-38-22-14-16-24-40(38)52-46)44(34)53-43(33)35(27-31)45-41(29-17-9-7-10-18-29)49-37-21-13-15-23-39(37)51-45/h7-28,53H,1-6H3
SMILES CC(c1cc(c2nc3ccccc3nc2c2ccccc2)c2c(c1)c1cc(cc(c1[nH]2)c1nc2ccccc2nc1c1ccccc1)C(C)(C)C)(C)C
InChI Key GITPLHPKSYCANX-UHFFFAOYSA-N
Exact Mass 687.873 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GITPLHPKSYCANX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GITPLHPKSYCANX-UHFFFAOYSA-N/CHMO0000595
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 3,6-ditert-butyl-1,8-bis(3-phenylquinoxalin-2-yl)-9H-carbazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877832 pubchem
    The data in this table is sourced from UniChem at EBI.