Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C52H43N3O4/c1-56-45-26-18-40(19-27-45)53(41-20-28-46(57-2)29-21-41)38-12-9-36(10-13-38)37-11-34-52-50(35-37)49-7-5-6-8-51(49)55(52)44-16-14-39(15-17-44)54(42-22-30-47(58-3)31-23-42)43-24-32-48(59-4)33-25-43/h5-35H,1-4H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc2c(c1)c1ccccc1n2c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC
InChI Key VSJDGYHWINPRKI-UHFFFAOYSA-N
Molecular Formula C52H43N3O4
Exact Mass 773.916 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VSJDGYHWINPRKI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VSJDGYHWINPRKI-UHFFFAOYSA-N/CHMO0000593
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-06-07T02:08:12.844705
MetadataModified 2025-06-08T02:15:39.659548
MetadataPublished 2025-06-05
Related Molecule
  • 4-[9-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]carbazol-3-yl]-N,N-bis(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    title : Oct03-2024

    date : 20241003

    starting time : 14.19 h

    instrument : Avance NEO

    label : HT-1519

    id : 324418

    Solvent : CD2Cl2

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