Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C64H80N4O4S5Si2/c1-5-9-13-17-21-25-33-78(34-26-22-18-14-10-6-2)51-39-49(57-55-53(69-29-31-71-55)47(73-57)37-45(41-65)42-66)75-59(51)61-63(78)64-62(77-61)60-52(79(64,35-27-23-19-15-11-7-3)36-28-24-20-16-12-8-4)40-50(76-60)58-56-54(70-30-32-72-56)48(74-58)38-46(43-67)44-68/h37-40H,5-36H2,1-4H3
SMILES CCCCCCCC[Si]1(CCCCCCCC)c2cc(sc2-c2c1c1c(-c3c([Si]1(CCCCCCCC)CCCCCCCC)cc(s3)c1sc(c3c1OCCO3)C=C(C#N)C#N)s2)c1sc(c2c1OCCO2)C=C(C#N)C#N
InChI Key NSPXTFBLFKBPKD-UHFFFAOYSA-N
Exact Mass 1185.840 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NSPXTFBLFKBPKD-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/NSPXTFBLFKBPKD-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • 2-[[5-[14-[7-(2,2-dicyanoethenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-3,3,17,17-tetraoctyl-7,10,13-trithia-3,17-disilapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]methylidene]propanedinitrile
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : SVS-X26603

    date : 20250228

    starting time : 19.03 h

    label : ComP-24309

    id : 355608

    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.