Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C7H9BrN2/c1-10(2)6-4-3-5-9-7(6)8/h3-5H,1-2H3
SMILES CN(c1cccnc1Br)C
InChI Key QJRNAKLIZGEADV-UHFFFAOYSA-N
Molecular Formula C7H9BrN2
Exact Mass 201.064 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QJRNAKLIZGEADV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/QJRNAKLIZGEADV-UHFFFAOYSA-N/CHMO0000595
Version
Author Xuemin Gan
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-09
Related Molecule
  • 2-bromo-N,N-dimethylpyridin-3-amine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Apr12-2024

    Date : 20240412

    Start time : 22.10 h

    Label : VF-859

    ID : 115665

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    SCHEMBL2883656 SureChEMBL
    86643498 PubChem
    The data in this table is sourced from UniChem at EBI.