Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
SMILES Brc1ccc2c(c1)c1cc(Br)ccc1[nH]2
InChI Key FIHILUSWISKVSR-UHFFFAOYSA-N
Molecular Formula C12H7Br2N
Exact Mass 324.999 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FIHILUSWISKVSR-UHFFFAOYSA-N/CHMO0001146.1
License URL
Source https://www.chemotion-repository.net/inchikey/FIHILUSWISKVSR-UHFFFAOYSA-N/CHMO0001146.1
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 3,6-dibromo-9H-carbazole
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Oct07-2024

    date : 20241008

    starting time : 4.04 h

    label : HT-1576

    id : 328798

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    CHEBI:201173 chebi
    CHEMBL5075756 chembl
    29366993 surechembl
    38602 surechembl
    274874 pubchem
    PD220474 probes_and_drugs
    MASBUE CCDC
    Molport-001-789-370 molport
    The data in this table is sourced from UniChem at EBI.