Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C35H32ClN/c1-2-3-4-26-13-20-34-30(21-26)23-33(29-16-18-31(36)19-17-29)35(37-34)32-22-27-10-9-24-5-7-25(8-6-24)11-14-28(32)15-12-27/h5-8,12-13,15-23H,2-4,9-11,14H2,1H3
SMILES CCCCc1ccc2c(c1)cc(c(n2)c1cc2CCc3ccc(CCc1cc2)cc3)c1ccc(cc1)Cl
InChI Key SYISJNATSQWOEV-UHFFFAOYSA-N
Molecular Formula C35H32ClN
Exact Mass 502.088 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYISJNATSQWOEV-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/SYISJNATSQWOEV-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 6-butyl-3-(4-chlorophenyl)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)quinoline
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Mar28-2024

    date : 20240328

    starting time : 9.47 h

    label : KT-828

    id : 300987

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

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