Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C64H39N7O/c1-39-34-36-40(37-35-39)63-66-67-64(72-63)58-59(68-50-26-10-2-18-41(50)42-19-3-11-27-51(42)68)49(38-65)60(69-52-28-12-4-20-43(52)44-21-5-13-29-53(44)69)62(71-56-32-16-8-24-47(56)48-25-9-17-33-57(48)71)61(58)70-54-30-14-6-22-45(54)46-23-7-15-31-55(46)70/h2-37H,1H3
SMILES N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2ccc(cc2)C)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key VMBNKDPNTRHCJF-UHFFFAOYSA-N
Molecular Formula C64H39N7O
Exact Mass 922.041 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VMBNKDPNTRHCJF-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VMBNKDPNTRHCJF-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-07
Related Molecule
  • 2,3,4,6-tetra(carbazol-9-yl)-5-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453628 pubchem
    The data in this table is sourced from UniChem at EBI.