Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C18H11BrIN/c19-12-5-10-18-16(11-12)15-3-1-2-4-17(15)21(18)14-8-6-13(20)7-9-14/h1-11H
SMILES Ic1ccc(cc1)n1c2ccc(cc2c2c1cccc2)Br
InChI Key BTENQKLMZIAXHX-UHFFFAOYSA-N
Molecular Formula C18H11BrIN
Exact Mass 448.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BTENQKLMZIAXHX-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/BTENQKLMZIAXHX-UHFFFAOYSA-N/CHMO0001150
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 3-bromo-9-(4-iodophenyl)carbazole
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : Oct10-2024

    date : 20241010

    starting time : 21.29 h

    label : HT-1559

    id : 327799

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    22903440 surechembl
    30516768 surechembl
    134843389 pubchem
    The data in this table is sourced from UniChem at EBI.