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/C40H40N4.4HI/c1-41-17-9-29(10-18-41)37-25-34-7-8-36-28-39(31-13-21-43(3)22-14-31)35(27-40(36)32-15-23-44(4)24-16-32)6-5-33(37)26-38(34)30-11-19-42(2)20-12-30;;;;/h9-28H,5-8H2,1-4H3;4*1H/q+4;;;;/p-4
SMILES C[n+]1ccc(cc1)c1cc2CCc3cc(c(CCc1cc2c1cc[n+](cc1)C)cc3c1cc[n+](cc1)C)c1cc[n+](cc1)C.[I-].[I-].[I-].[I-]
InChI Key VVMGLLAOFLTNAC-UHFFFAOYSA-J
Molecular Formula C40H40I4N4
Exact Mass 1084.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VVMGLLAOFLTNAC-UHFFFAOYSA-J/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/VVMGLLAOFLTNAC-UHFFFAOYSA-J/CHMO0001146
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 1-methyl-4-[11,13,15-tris(1-methylpyridin-1-ium-4-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]pyridin-1-ium;tetraiodide
    • 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.