Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C60H42N2S2/c1-5-13-53-47(9-1)48-10-2-6-14-54(48)61(53)45-29-25-43(26-30-45)57-33-35-59(63-57)51-37-39-17-21-41(51)23-19-40-18-22-42(24-20-39)52(38-40)60-36-34-58(64-60)44-27-31-46(32-28-44)62-55-15-7-3-11-49(55)50-12-4-8-16-56(50)62/h1-18,21-22,25-38H,19-20,23-24H2
SMILES c1ccc2c(c1)n(c1ccc(cc1)c1ccc(s1)c1cc3CCc4ccc(CCc1cc3)cc4c1ccc(s1)c1ccc(cc1)n1c3ccccc3c3c1cccc3)c1c2cccc1
InChI Key WHSOXNXKLMPMCN-UHFFFAOYSA-N
Molecular Formula C60H42N2S2
Exact Mass 855.119 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WHSOXNXKLMPMCN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WHSOXNXKLMPMCN-UHFFFAOYSA-N/CHMO0000593
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • 9-[4-[5-[11-[5-(4-carbazol-9-ylphenyl)thiophen-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]thiophen-2-yl]phenyl]carbazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169408875 pubchem
    The data in this table is sourced from UniChem at EBI.