Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C98H76S21Si2/c1-49-15-23-63(99-49)57-43-81(113-91(57)73-27-19-53(5)103-73)69-33-31-67(107-69)61-47-85(117-95(61)77-37-35-71(109-77)83-45-59(65-25-17-51(3)101-65)93(115-83)75-29-21-55(7)105-75)89-90(98(80-40-42-88(112-80)121(12,13)14)119-97(89)79-39-41-87(111-79)120(9,10)11)86-48-62(68-32-34-70(108-68)82-44-58(64-24-16-50(2)100-64)92(114-82)74-28-20-54(6)104-74)96(118-86)78-38-36-72(110-78)84-46-60(66-26-18-52(4)102-66)94(116-84)76-30-22-56(8)106-76/h15-48H,1-14H3
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)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C
InChI Key RBLOMTDGMXOPAK-UHFFFAOYSA-N
Exact Mass 1983.188 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RBLOMTDGMXOPAK-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/RBLOMTDGMXOPAK-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • [5-[3,4-bis[4,5-bis[5-[4,5-bis(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylsilane
    • Field Value
    Measurement Technique CHMO:0001150
    Measurement Variables
    title : SVS-X24596

    date : 20250225

    starting time : 12.52 h

    label : SVS-3852

    id : 356881

    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.