Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C32H24Br2N2O2/c1-37-27-13-9-24(10-14-27)35(25-11-15-28(38-2)16-12-25)23-5-7-26(8-6-23)36-31-17-3-21(33)19-29(31)30-20-22(34)4-18-32(30)36/h3-20H,1-2H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)Br)Br
InChI Key KXIRHZUWUICFMQ-UHFFFAOYSA-N
Molecular Formula C32H24Br2N2O2
Exact Mass 628.353 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KXIRHZUWUICFMQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KXIRHZUWUICFMQ-UHFFFAOYSA-N/CHMO0000595
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • 4-(3,6-dibromocarbazol-9-yl)-N,N-bis(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Feb09-2024

    Date : 20240210

    Start time : 14.02 h

    Label : HT-1435

    ID : 318195

    Solvent : CD2Cl2

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    28312991 surechembl
    174966509 pubchem
    The data in this table is sourced from UniChem at EBI.