Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C66H43N7O/c1-39-36-40(2)59(41(3)37-39)65-68-69-66(74-65)60-61(70-51-28-12-4-20-42(51)43-21-5-13-29-52(43)70)50(38-67)62(71-53-30-14-6-22-44(53)45-23-7-15-31-54(45)71)64(73-57-34-18-10-26-48(57)49-27-11-19-35-58(49)73)63(60)72-55-32-16-8-24-46(55)47-25-9-17-33-56(47)72/h4-37H,1-3H3
SMILES N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2c(C)cc(cc2C)C)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key DYLFJJYYNYGIDI-UHFFFAOYSA-N
Molecular Formula C66H43N7O
Exact Mass 950.094 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DYLFJJYYNYGIDI-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DYLFJJYYNYGIDI-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-01-14
Related Molecule
  • 2,3,4,6-tetra(carbazol-9-yl)-5-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453627 PubChem
    The data in this table is sourced from UniChem at EBI.