Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C40H26Br2S9/c1-19-5-9-25(43-19)23-17-31(49-37(23)27-11-7-21(3)45-27)35-36(40(30-14-16-34(42)48-30)51-39(35)29-13-15-33(41)47-29)32-18-24(26-10-6-20(2)44-26)38(50-32)28-12-8-22(4)46-28/h5-18H,1-4H3
SMILES Brc1ccc(s1)c1sc(c(c1c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1ccc(s1)Br
InChI Key IRGZYWXCPQUKOM-UHFFFAOYSA-N
Exact Mass 955.027 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IRGZYWXCPQUKOM-UHFFFAOYSA-N/CHMO0001148.1
License URL
Source https://www.chemotion-repository.net/inchikey/IRGZYWXCPQUKOM-UHFFFAOYSA-N/CHMO0001148.1
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-28
Related Molecule
  • 3,4-bis[4,5-bis(5-methylthiophen-2-yl)thiophen-2-yl]-2,5-bis(5-bromothiophen-2-yl)thiophene
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    date : 2025-03-13

    starting time : 18:44:45 UTC

    creator : Sylvia Vanderheiden-Schroen

    label : ComP-23374

    id : 355979

    Solvent : CDCl3

    temperature : 300.0142 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Name : TopSpin

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