Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C59H33N7O/c1-2-53-61-62-59(67-53)54-55(63-45-27-11-3-19-36(45)37-20-4-12-28-46(37)63)44(35-60)56(64-47-29-13-5-21-38(47)39-22-6-14-30-48(39)64)58(66-51-33-17-9-25-42(51)43-26-10-18-34-52(43)66)57(54)65-49-31-15-7-23-40(49)41-24-8-16-32-50(41)65/h1,3-34H
SMILES C#Cc1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(n2c3ccccc3c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)C#N)n1c2ccccc2c2c1cccc2
InChI Key GVVBZEXAVPOBNU-UHFFFAOYSA-N
Molecular Formula C59H33N7O
Exact Mass 855.940 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GVVBZEXAVPOBNU-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GVVBZEXAVPOBNU-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-01-31
Related Molecule
  • 2,3,4,6-tetra(carbazol-9-yl)-5-(5-ethynyl-1,3,4-oxadiazol-2-yl)benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145915827 PubChem
    The data in this table is sourced from UniChem at EBI.