Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3
SMILES Brc1ccc(cc1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C
InChI Key XHLPULMJGMQPES-UHFFFAOYSA-N
Molecular Formula C33H28BrN
Exact Mass 518.486 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XHLPULMJGMQPES-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XHLPULMJGMQPES-UHFFFAOYSA-N/CHMO0000593
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-(4-bromophenyl)-5,7-dimethyl-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)quinoline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Feb08-2024

    date : 20240208

    starting time : 9.00 h

    label : KT-703

    id : 294414

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    171392095 pubchem
    The data in this table is sourced from UniChem at EBI.