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(33-13-21-45-22-14-33)5-37-29-42-11-12-44-32-39(7-3-35-17-25-47-26-18-35)43(31-40(44)8-4-36-19-27-48-28-20-36)10-9-41(37)30-38(42)6-2-34-15-23-46-24-16-34/h1-8,13-32H,9-12H2/b5-1+,6-2+,7-3+,8-4+
SMILES n1ccc(cc1)/C=C/c1cc2CCc3cc(c(CCc1cc2/C=C/c1ccncc1)cc3/C=C/c1ccncc1)/C=C/c1ccncc1
InChI Key SYMSPZWKXLLTQK-VYUKIJHXSA-N
Molecular Formula C44H36N4
Exact Mass 620.783 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYMSPZWKXLLTQK-VYUKIJHXSA-N/CHMO0001146.1
License URL
Source https://www.chemotion-repository.net/inchikey/SYMSPZWKXLLTQK-VYUKIJHXSA-N/CHMO0001146.1
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 4-[(E)-2-[11,13,15-tris[(E)-2-pyridin-4-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.