Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C58H34ClN7O/c59-33-52-61-62-58(67-52)53-54(63-44-25-9-1-17-35(44)36-18-2-10-26-45(36)63)43(34-60)55(64-46-27-11-3-19-37(46)38-20-4-12-28-47(38)64)57(66-50-31-15-7-23-41(50)42-24-8-16-32-51(42)66)56(53)65-48-29-13-5-21-39(48)40-22-6-14-30-49(40)65/h1-32H,33H2
SMILES ClCc1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(n2c3ccccc3c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)C#N)n1c2ccccc2c2c1cccc2
InChI Key CUVCCIOSRGCLAX-UHFFFAOYSA-N
Molecular Formula C58H34ClN7O
Exact Mass 880.390 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CUVCCIOSRGCLAX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CUVCCIOSRGCLAX-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-01-16
Related Molecule
  • 2,3,4,6-tetra(carbazol-9-yl)-5-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453629 PubChem
    The data in this table is sourced from UniChem at EBI.