Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H10BrN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
SMILES CNCc1cccc(c1)Br
InChI Key QCEANFBGRBLXHN-UHFFFAOYSA-N
Exact Mass 200.076 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QCEANFBGRBLXHN-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/QCEANFBGRBLXHN-UHFFFAOYSA-N/CHMO0000595
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-26
Related Molecule
  • 1-(3-bromophenyl)-N-methylmethanamine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : JAL-CCP-3704 (CDCl3)

    Date : 20240214

    Start time : 10.38 h

    Label : JAL-3

    ID : 112163

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 512

    Instrument : spect

    Data-Source Molecule ID Data-Source
    CHEMBL1183004 ChEMBL
    DTXSID80217694 EPA CompTox Dashboard
    CB1329230 ChemicalBook
    457588 PubChem
    SCHEMBL662360 SureChEMBL
    67344-77-8 ACToR
    525092 eMolecules
    ZINC000000516930 ZINC
    The data in this table is sourced from UniChem at EBI.