Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C20H23Br2N/c1-3-5-6-14(4-2)13-23-19-9-7-15(21)11-17(19)18-12-16(22)8-10-20(18)23/h7-12,14H,3-6,13H2,1-2H3
SMILES CCCCC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CC
InChI Key ZDFZWZGIGKUBRA-UHFFFAOYSA-N
Molecular Formula C20H23Br2N
Exact Mass 437.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZDFZWZGIGKUBRA-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/ZDFZWZGIGKUBRA-UHFFFAOYSA-N/CHMO0001150
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 3,6-dibromo-9-(2-ethylhexyl)carbazole
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : Sep03-2024

    date : 20240903

    starting time : 10.11 h

    label : HT-304

    id : 176728

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    SCHEMBL923358 SureChEMBL
    26741139 PubChem: Thomson Pharma
    CB32106002 ChemicalBook
    DTXSID40587840 EPA CompTox Dashboard
    J709.378K Nikkaji
    16752909 PubChem
    The data in this table is sourced from UniChem at EBI.