Dataset

process

dataset for process

Chemical Information

molecular Image
InChI InChI=1S/C51H34BrNOS4/c1-3-34-26-32-4-8-35(34)9-5-33-7-11-36(10-6-32)39(27-33)16-25-44-28-47-48(55-44)29-45(56-47)37-12-17-40(18-13-37)53(42-21-23-43(54-2)24-22-42)41-19-14-38(15-20-41)46-30-49-50(57-46)31-51(52)58-49/h1,4,7-8,11-15,17-24,26-31H,5-6,9-10H2,2H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)c1cc2c(s1)cc(s2)Br)c1ccc(cc1)c1cc2c(s1)cc(s2)C#Cc1cc2ccc1CCc1ccc(CC2)c(c1)C#C
InChI Key GGOKFXUBOMUCAL-UHFFFAOYSA-N
Molecular Formula C51H34BrNOS4
Exact Mass 884.986 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GGOKFXUBOMUCAL-UHFFFAOYSA-N/BFO0000015
License URL
Source https://www.chemotion-repository.net/inchikey/GGOKFXUBOMUCAL-UHFFFAOYSA-N/BFO0000015
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • N-[4-(5-bromothieno[3,2-b]thiophen-2-yl)phenyl]-4-[2-[2-(11-ethynyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)ethynyl]thieno[3,2-b]thiophen-5-yl]-N-(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique process
    Measurement Variables
    title : Sep06-2024

    date : 20240906

    starting time : 12.31 h

    label : HT-1504

    id : 323118

    Solvent : CD2Cl2

    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.