Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C33H29N/c1-22-18-23(2)29-21-31(27-6-4-3-5-7-27)33(34-32(29)19-22)30-20-26-13-12-24-8-10-25(11-9-24)14-16-28(30)17-15-26/h3-11,15,17-21H,12-14,16H2,1-2H3
SMILES Cc1cc(C)c2c(c1)nc(c(c2)c1ccccc1)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key HCKHACPXJZQVRJ-UHFFFAOYSA-N
Molecular Formula C33H29N
Exact Mass 439.590 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HCKHACPXJZQVRJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HCKHACPXJZQVRJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 5,7-dimethyl-3-phenyl-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 : Feb07-2024

    date : 20240207

    starting time : 8.36 h

    label : KT-702

    id : 294183

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

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