Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C48H38BN3O2/c1-47(2)48(3,4)54-49(53-47)31-21-23-32(24-22-31)50-45-27-25-33(51-41-17-9-5-13-35(41)36-14-6-10-18-42(36)51)29-39(45)40-30-34(26-28-46(40)50)52-43-19-11-7-15-37(43)38-16-8-12-20-44(38)52/h5-30H,1-4H3
SMILES CC1(C)OB(OC1(C)C)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key JOOUCYSKCGMEDP-UHFFFAOYSA-N
Molecular Formula C48H38BN3O2
Exact Mass 699.645 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JOOUCYSKCGMEDP-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/JOOUCYSKCGMEDP-UHFFFAOYSA-N/CHMO0001150
Version
Author Pit Turpel
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-08
Related Molecule
  • 3,6-di(carbazol-9-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163685583 PubChem
    The data in this table is sourced from UniChem at EBI.