Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C70H42N8O2/c1-3-23-43(24-4-1)67-71-73-69(79-67)61-63(75-53-35-15-7-27-45(53)46-28-8-16-36-54(46)75)62(70-74-72-68(80-70)44-25-5-2-6-26-44)65(77-57-39-19-11-31-49(57)50-32-12-20-40-58(50)77)66(78-59-41-21-13-33-51(59)52-34-14-22-42-60(52)78)64(61)76-55-37-17-9-29-47(55)48-30-10-18-38-56(48)76/h1-42H
SMILES c1ccc(cc1)c1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2ccccc2)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key BIXMHPJQMVBHFD-UHFFFAOYSA-N
Molecular Formula C70H42N8O2
Exact Mass 1027.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BIXMHPJQMVBHFD-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BIXMHPJQMVBHFD-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-07
Related Molecule
  • 2-phenyl-5-[2,3,4,6-tetra(carbazol-9-yl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145915833 PubChem
    The data in this table is sourced from UniChem at EBI.