Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C92H60S21/c1-45-13-21-59(95-45)53-39-77(107-85(53)71-25-17-49(5)99-71)65-31-29-63(103-65)57-43-81(111-89(57)75-35-33-67(105-75)79-41-55(61-23-15-47(3)97-61)87(109-79)73-27-19-51(7)101-73)83-84(92(70-12-10-38-94-70)113-91(83)69-11-9-37-93-69)82-44-58(64-30-32-66(104-64)78-40-54(60-22-14-46(2)96-60)86(108-78)72-26-18-50(6)100-72)90(112-82)76-36-34-68(106-76)80-42-56(62-24-16-48(4)98-62)88(110-80)74-28-20-52(8)102-74/h9-44H,1-8H3
SMILES Cc1ccc(s1)c1sc(cc1c1ccc(s1)C)c1ccc(s1)c1cc(sc1c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1c(sc(c1c1cc(c(s1)c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1cccs1)c1cccs1
InChI Key HDFUPFKYSFSDEB-UHFFFAOYSA-N
Exact Mass 1838.826 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HDFUPFKYSFSDEB-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/HDFUPFKYSFSDEB-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • 3,4-bis[4,5-bis[5-[4,5-bis(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,5-dithiophen-2-ylthiophene
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : SVS-X25021

    date : 20250224

    starting time : 23.37 h

    label : SVS-3849

    id : 356838

    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.