Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C97H108S12Si8/c1-110(2,3)85-49-41-73(98-85)69-57-81(106-93(69)77-45-53-89(102-77)114(13,14)15)61-25-33-65(34-26-61)97(66-35-27-62(28-36-66)82-58-70(74-42-50-86(99-74)111(4,5)6)94(107-82)78-46-54-90(103-78)115(16,17)18,67-37-29-63(30-38-67)83-59-71(75-43-51-87(100-75)112(7,8)9)95(108-83)79-47-55-91(104-79)116(19,20)21)68-39-31-64(32-40-68)84-60-72(76-44-52-88(101-76)113(10,11)12)96(109-84)80-48-56-92(105-80)117(22,23)24/h25-60H,1-24H3
SMILES C[Si](c1ccc(s1)c1sc(cc1c1ccc(s1)[Si](C)(C)C)c1ccc(cc1)C(c1ccc(cc1)c1sc(c(c1)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)(c1ccc(cc1)c1sc(c(c1)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccc(cc1)c1sc(c(c1)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)(C)C
InChI Key ATTWTTPKIPWDBX-UHFFFAOYSA-N
Exact Mass 1883.359 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ATTWTTPKIPWDBX-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/ATTWTTPKIPWDBX-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • trimethyl-[5-[2-(5-trimethylsilylthiophen-2-yl)-5-[4-[tris[4-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]phenyl]methyl]phenyl]thiophen-3-yl]thiophen-2-yl]silane
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : SVS-x25015

    date : 20250228

    starting time : 14.11 h

    label : SVS-3861

    id : 357703

    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.