Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C64H54N2O4S2/c1-67-55-29-21-51(22-30-55)65(52-23-31-56(68-2)32-24-52)49-17-13-47(14-18-49)61-37-39-63(71-61)59-41-43-5-6-44-8-10-46(12-11-45(59)9-7-43)60(42-44)64-40-38-62(72-64)48-15-19-50(20-16-48)66(53-25-33-57(69-3)34-26-53)54-27-35-58(70-4)36-28-54/h7-10,13-42H,5-6,11-12H2,1-4H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc(s1)c1cc2ccc1CCc1ccc(CC2)cc1c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC
InChI Key QJUGOXCZRNWVMY-UHFFFAOYSA-N
Molecular Formula C64H54N2O4S2
Exact Mass 979.255 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QJUGOXCZRNWVMY-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/QJUGOXCZRNWVMY-UHFFFAOYSA-N/CHMO0001150
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • 4-[5-[12-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : Sep05-2024

    date : 20240905

    starting time : 10.30 h

    label : HT-1479

    id : 322038

    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.