Dataset

process

dataset for process

Chemical Information

molecular Image
InChI InChI=1S/C51H38BrNOS4/c1-3-34-26-32-4-5-33-7-9-36(11-10-35(34)8-6-32)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/h3,6-9,12-31H,1,4-5,10-11H2,2H3/b25-16+
SMILES COc1ccc(cc1)N(c1ccc(cc1)c1cc2c(s1)cc(s2)Br)c1ccc(cc1)c1cc2c(s1)cc(s2)/C=C/c1cc2CCc3ccc(CCc1cc2)c(c3)C=C
InChI Key XZJBSPOOLAXLAB-PCLIKHOPSA-N
Molecular Formula C51H38BrNOS4
Exact Mass 889.018 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XZJBSPOOLAXLAB-PCLIKHOPSA-N/BFO0000015
License URL
Source https://www.chemotion-repository.net/inchikey/XZJBSPOOLAXLAB-PCLIKHOPSA-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-[(E)-2-(12-ethenyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)ethenyl]thieno[3,2-b]thiophen-5-yl]-N-(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique process
    Measurement Variables
    title : Sep04-2024

    date : 20240904

    starting time : 19.12 h

    label : HT-1495

    id : 323089

    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.