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/C44H36N4/c1-5-33(29-45-21-1)9-13-37-25-42-19-20-44-28-39(15-11-35-7-3-23-47-31-35)43(27-40(44)16-12-36-8-4-24-48-32-36)18-17-41(37)26-38(42)14-10-34-6-2-22-46-30-34/h1-16,21-32H,17-20H2/b13-9+,14-10+,15-11+,16-12+
SMILES c1ccc(cn1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1cccnc1)cc3/C=C/c1cccnc1)/C=C/c1cccnc1
InChI Key KEZSCKXKKQRCAG-KUWVSJDVSA-N
Molecular Formula C44H36N4
Exact Mass 620.783 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KEZSCKXKKQRCAG-KUWVSJDVSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/KEZSCKXKKQRCAG-KUWVSJDVSA-N/CHMO0001146
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 3-[(E)-2-[11,13,15-tris[(E)-2-pyridin-3-ylethenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]ethenyl]pyridine
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.