Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C61H41N7O/c1-61(2,3)60-64-63-59(69-60)54-55(65-46-28-12-4-20-37(46)38-21-5-13-29-47(38)65)45(36-62)56(66-48-30-14-6-22-39(48)40-23-7-15-31-49(40)66)58(68-52-34-18-10-26-43(52)44-27-11-19-35-53(44)68)57(54)67-50-32-16-8-24-41(50)42-25-9-17-33-51(42)67/h4-35H,1-3H3
SMILES N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C(C)(C)C)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key RBZIABUVENDLTG-UHFFFAOYSA-N
Molecular Formula C61H41N7O
Exact Mass 888.025 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RBZIABUVENDLTG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RBZIABUVENDLTG-UHFFFAOYSA-N/CHMO0000593
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-01
Related Molecule
  • 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)benzonitrile
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145915829 pubchem
    The data in this table is sourced from UniChem at EBI.