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/C32H25BrN2O2/c1-36-27-16-12-24(13-17-27)34(25-14-18-28(37-2)19-15-25)23-8-10-26(11-9-23)35-31-6-4-3-5-29(31)30-21-22(33)7-20-32(30)35/h3-21H,1-2H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)n1c2ccc(cc2c2c1cccc2)Br
InChI Key NLVVMBWXRFXGHP-UHFFFAOYSA-N
Molecular Formula C32H25BrN2O2
Exact Mass 549.457 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NLVVMBWXRFXGHP-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/NLVVMBWXRFXGHP-UHFFFAOYSA-N/CHMO0001146
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • 4-(3-bromocarbazol-9-yl)-N,N-bis(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Sep03-2024

    date : 20240903

    starting time : 23.47 h

    label : HT-1512

    id : 323521

    Solvent : CD2Cl2

    temperature : 300.2 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.