Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C53H55NS9Si4/c1-64(2,3)47-21-17-37(57-47)34-30-45(62-52(34)42-19-23-49(59-42)66(7,8)9)39-14-13-36(55-39)33-29-44(32-25-27-54-28-26-32)61-51(33)41-16-15-40(56-41)46-31-35(38-18-22-48(58-38)65(4,5)6)53(63-46)43-20-24-50(60-43)67(10,11)12/h13-31H,1-12H3
SMILES C[Si](c1ccc(s1)c1sc(cc1c1ccc(s1)[Si](C)(C)C)c1ccc(s1)c1cc(sc1c1ccc(s1)c1sc(c(c1)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccncc1)(C)C
InChI Key OZPDDCVCNNSFQR-UHFFFAOYSA-N
Exact Mass 1106.938 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OZPDDCVCNNSFQR-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/OZPDDCVCNNSFQR-UHFFFAOYSA-N/CHMO0001146
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
  • [5-[5-[5-[2-[5-[4,5-bis(5-trimethylsilylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-pyridin-4-ylthiophen-3-yl]thiophen-2-yl]-2-(5-trimethylsilylthiophen-2-yl)thiophen-3-yl]thiophen-2-yl]-trimethylsilane
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    date : 2025-11-18

    starting time : 02:57:23 UTC

    creator : Sylvia Vanderheiden-Schroen

    label : ComP-26077

    id : 355392

    Solvent : None

    temperature : 298.059113406079 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : Avance NEO 400

    Name : TopSpin

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