Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C68H55N7O/c1-2-3-4-5-6-7-8-9-10-43-62-70-71-68(76-62)63-64(72-54-35-19-11-27-45(54)46-28-12-20-36-55(46)72)53(44-69)65(73-56-37-21-13-29-47(56)48-30-14-22-38-57(48)73)67(75-60-41-25-17-33-51(60)52-34-18-26-42-61(52)75)66(63)74-58-39-23-15-31-49(58)50-32-16-24-40-59(50)74/h11-42H,2-10,43H2,1H3
SMILES CCCCCCCCCCCc1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key CIOTUFXZDSKBMW-UHFFFAOYSA-N
Molecular Formula C68H55N7O
Exact Mass 986.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CIOTUFXZDSKBMW-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CIOTUFXZDSKBMW-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-01
Related Molecule
  • 2,3,4,6-tetra(carbazol-9-yl)-5-(5-undecyl-1,3,4-oxadiazol-2-yl)benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453805 PubChem
    The data in this table is sourced from UniChem at EBI.