Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C50H70Br4N2S5Si2/c1-15-17-19-21-23-55-33-25-35(62(27(3)4,28(5)6)29(7)8)57-43(33)49-41(55)39(53)47(60-49)45-37(51)38(52)46(59-45)48-40(54)42-50(61-48)44-34(56(42)24-22-20-18-16-2)26-36(58-44)63(30(9)10,31(11)12)32(13)14/h25-32H,15-24H2,1-14H3
SMILES CCCCCCn1c2c(Br)c(sc2c2c1cc(s2)[Si](C(C)C)(C(C)C)C(C)C)c1sc(c(c1Br)Br)c1sc2c(c1Br)n(c1c2sc(c1)[Si](C(C)C)(C(C)C)C(C)C)CCCCCC
InChI Key IXNGYVJZOWPTAB-UHFFFAOYSA-N
Exact Mass 1235.216 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IXNGYVJZOWPTAB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/IXNGYVJZOWPTAB-UHFFFAOYSA-N/CHMO0000595
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-19
Related Molecule
  • nfdi4chem-mol2345 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2025-08-22

    Start time : 21:42:21 UTC

    Creator : Sylvia Vanderheiden-Schroen

    Label : ComP-28291

    ID : 354187

    Solvent : CDCl3

    Temperature : 297.999767599185 K K

    Puls programme : zgpg30

    Number of scans : 4096

    Instrument : Avance NEO 400

    Name : TopSpin

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