Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C66H50N8O2/c1-65(2,3)63-69-67-61(75-63)55-57(71-47-31-15-7-23-39(47)40-24-8-16-32-48(40)71)56(62-68-70-64(76-62)66(4,5)6)59(73-51-35-19-11-27-43(51)44-28-12-20-36-52(44)73)60(74-53-37-21-13-29-45(53)46-30-14-22-38-54(46)74)58(55)72-49-33-17-9-25-41(49)42-26-10-18-34-50(42)72/h7-38H,1-6H3
SMILES CC(c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)C(C)(C)C)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)(C)C
InChI Key MSPGILFMXBRFOP-UHFFFAOYSA-N
Molecular Formula C66H50N8O2
Exact Mass 987.156 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MSPGILFMXBRFOP-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MSPGILFMXBRFOP-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-07
Related Molecule
  • 2-tert-butyl-5-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2,4,5,6-tetra(carbazol-9-yl)phenyl]-1,3,4-oxadiazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145915832 PubChem
    The data in this table is sourced from UniChem at EBI.