Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

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/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/XHLPULMJGMQPES-UHFFFAOYSA-N/CHMO0000596.1
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 distortionless enhancement with polarization transfer
    Measurement Variables
    Title : Feb08-2024

    Date : 20240209

    Start time : 0.21 h

    Label : KT-703

    ID : 294414

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : Avance NEO

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