Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C50H38N4/c1-49(2)37-15-5-11-21-43(37)53(44-22-12-6-16-38(44)49)31-25-27-33-35(29-31)36-30-32(26-28-34(36)48-47(33)51-41-19-9-10-20-42(41)52-48)54-45-23-13-7-17-39(45)50(3,4)40-18-8-14-24-46(40)54/h5-30H,1-4H3
SMILES CC1(C)c2ccccc2N(c2c1cccc2)c1ccc2c(c1)c1cc(ccc1c1c2nc2ccccc2n1)N1c2ccccc2C(c2c1cccc2)(C)C
InChI Key ZVXTYYGDOWPJNX-UHFFFAOYSA-N
Molecular Formula C50H38N4
Exact Mass 694.864 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZVXTYYGDOWPJNX-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/ZVXTYYGDOWPJNX-UHFFFAOYSA-N/CHMO0000599
Version
Author Jason Hofmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-25
Related Molecule
  • 3,6-bis(9,9-dimethylacridin-10-yl)phenanthro[9,10-b]quinoxaline
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Title : Sep05-2024

    Date : 20240905

    Starting time : 12.35 h

    label : JSH-98

    id : 123461

    Solvent used for referencing : chloroform-D1 (CDCl3)

    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.