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/C8H10BrN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
SMILES CN(c1ccccc1Br)C
InChI Key ONMSBNJJCUCYED-UHFFFAOYSA-N
Molecular Formula C8H10BrN
Exact Mass 200.076 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ONMSBNJJCUCYED-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ONMSBNJJCUCYED-UHFFFAOYSA-N/CHMO0001146
Version
Author Xuemin Gan
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-09
Related Molecule
  • 2-bromo-N,N-dimethylaniline
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Mar15-2024

    date : 20240316

    starting time : 3.26 h

    label : VF-820

    id : 114539

    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
    29713864 surechembl
    545805 surechembl
    136527 pubchem
    DTXSID80220087 comptox
    Molport-001-768-811 molport
    The data in this table is sourced from UniChem at EBI.