Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C65H41N7O3/c1-73-56-36-19-37-57(74-2)58(56)64-67-68-65(75-64)59-60(69-48-28-11-3-20-39(48)40-21-4-12-29-49(40)69)47(38-66)61(70-50-30-13-5-22-41(50)42-23-6-14-31-51(42)70)63(72-54-34-17-9-26-45(54)46-27-10-18-35-55(46)72)62(59)71-52-32-15-7-24-43(52)44-25-8-16-33-53(44)71/h3-37H,1-2H3
SMILES COc1cccc(c1c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(C#N)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)OC
InChI Key PHLLCTCFMJCYOP-UHFFFAOYSA-N
Molecular Formula C65H41N7O3
Exact Mass 968.066 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PHLLCTCFMJCYOP-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PHLLCTCFMJCYOP-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-01-18
Related Molecule
  • 2,3,4,6-tetra(carbazol-9-yl)-5-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145864156 PubChem
    The data in this table is sourced from UniChem at EBI.