Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C52H55N3/c1-49(2,3)31-13-21-45-39(25-31)40-26-32(50(4,5)6)14-22-46(40)54(45)35-17-19-43-37(29-35)38-30-36(18-20-44(38)53-43)55-47-23-15-33(51(7,8)9)27-41(47)42-28-34(52(10,11)12)16-24-48(42)55/h13-30,53H,1-12H3
SMILES CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc2c(c1)c1cc(ccc1[nH]2)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
InChI Key XFOBSYKINMFANO-UHFFFAOYSA-N
Molecular Formula C52H55N3
Exact Mass 722.013 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XFOBSYKINMFANO-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/XFOBSYKINMFANO-UHFFFAOYSA-N/CHMO0001150
Version
Author Pit Turpel
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-08
Related Molecule
  • 3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9H-carbazol-3-yl]carbazole
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J1.865.135A Nikkaji
    SCHEMBL15910226 SureChEMBL
    85843124 PubChem
    The data in this table is sourced from UniChem at EBI.