Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C47H56N6O3Si/c1-47(2,3)57(4,5)56-33-21-13-11-9-7-6-8-10-12-20-32-55-46-44(51-39-26-18-19-27-40(39)53-46)31-30-42-41(48-35-22-14-15-23-36(35)49-42)28-29-43-45(34-54)52-38-25-17-16-24-37(38)50-43/h14-19,22-31,34H,6-13,20-21,32-33H2,1-5H3/b29-28+,31-30+
SMILES O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCCCCCCCCCCCO[Si](C(C)(C)C)(C)C
InChI Key QMTOLUHXYSTIDS-DUJDKOHPSA-N
Molecular Formula C47H56N6O3Si
Exact Mass 781.071 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QMTOLUHXYSTIDS-DUJDKOHPSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/QMTOLUHXYSTIDS-DUJDKOHPSA-N/CHMO0000595
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 3-[(E)-2-[3-[(E)-2-[3-[12-[tert-butyl(dimethyl)silyl]oxydodecoxy]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]quinoxaline-2-carbaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197192 PubChem
    The data in this table is sourced from UniChem at EBI.