Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C19H15Br2NO/c1-23-19-12-10-18(11-13-19)22(16-6-2-14(20)3-7-16)17-8-4-15(21)5-9-17/h2-13H,1H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)Br)c1ccc(cc1)Br
InChI Key ZOISYEZQRCIVDZ-UHFFFAOYSA-N
Molecular Formula C19H15Br2NO
Exact Mass 433.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZOISYEZQRCIVDZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZOISYEZQRCIVDZ-UHFFFAOYSA-N/CHMO0000593
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • N,N-bis(4-bromophenyl)-4-methoxyaniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Feb29-2024

    date : 20240229

    starting time : 16.12 h

    label : HT-1462

    id : 320873

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    SCHEMBL8319450 SureChEMBL
    21311049 PubChem
    J2.112.795G Nikkaji
    The data in this table is sourced from UniChem at EBI.