Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C42H26BrN3/c43-27-17-19-28(20-18-27)44-41-23-21-29(45-37-13-5-1-9-31(37)32-10-2-6-14-38(32)45)25-35(41)36-26-30(22-24-42(36)44)46-39-15-7-3-11-33(39)34-12-4-8-16-40(34)46/h1-26H
SMILES Brc1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key ALEIWMWYWHFYSL-UHFFFAOYSA-N
Molecular Formula C42H26BrN3
Exact Mass 652.580 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ALEIWMWYWHFYSL-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/ALEIWMWYWHFYSL-UHFFFAOYSA-N/CHMO0001150
Version
Author Pit Turpel
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-08
Related Molecule
  • 9-(4-bromophenyl)-3,6-di(carbazol-9-yl)carbazole
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : PIT-28-2

    date : 20220725

    starting time : 23.35 h

    label : PIT-97

    id : 95201

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    146964218 PubChem
    The data in this table is sourced from UniChem at EBI.