Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C73H36Br8S12/c74-61-25-17-49(82-61)45-33-57(90-69(45)53-21-29-65(78)86-53)37-1-9-41(10-2-37)73(42-11-3-38(4-12-42)58-34-46(50-18-26-62(75)83-50)70(91-58)54-22-30-66(79)87-54,43-13-5-39(6-14-43)59-35-47(51-19-27-63(76)84-51)71(92-59)55-23-31-67(80)88-55)44-15-7-40(8-16-44)60-36-48(52-20-28-64(77)85-52)72(93-60)56-24-32-68(81)89-56/h1-36H
SMILES Brc1ccc(s1)c1sc(cc1c1ccc(s1)Br)c1ccc(cc1)C(c1ccc(cc1)c1cc(c(s1)c1ccc(s1)Br)c1ccc(s1)Br)(c1ccc(cc1)c1cc(c(s1)c1ccc(s1)Br)c1ccc(s1)Br)c1ccc(cc1)c1cc(c(s1)c1ccc(s1)Br)c1ccc(s1)Br
InChI Key NHFXAXKPNWKGCY-UHFFFAOYSA-N
Exact Mass 1937.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/NHFXAXKPNWKGCY-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • 2,3-bis(5-bromothiophen-2-yl)-5-[4-[tris[4-[4,5-bis(5-bromothiophen-2-yl)thiophen-2-yl]phenyl]methyl]phenyl]thiophene
    • Field Value
    Measurement Technique CHMO:0001150
    Measurement Variables
    title : SVS-X25016

    date : 20250301

    starting time : 6.18 h

    label : SVS-3863

    id : 357726

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

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