Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C58H35N7O/c1-35-60-61-58(66-35)53-54(62-45-26-10-2-18-36(45)37-19-3-11-27-46(37)62)44(34-59)55(63-47-28-12-4-20-38(47)39-21-5-13-29-48(39)63)57(65-51-32-16-8-24-42(51)43-25-9-17-33-52(43)65)56(53)64-49-30-14-6-22-40(49)41-23-7-15-31-50(41)64/h2-33H,1H3
SMILES N#Cc1c(n2c3ccccc3c3c2cccc3)c(c(c(c1n1c2ccccc2c2c1cccc2)c1nnc(o1)C)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key ZNGNHXGIDLUNAS-UHFFFAOYSA-N
Molecular Formula C58H35N7O
Exact Mass 845.945 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZNGNHXGIDLUNAS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZNGNHXGIDLUNAS-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-12-23
Related Molecule
  • 2,3,4,6-tetra(carbazol-9-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453802 PubChem
    The data in this table is sourced from UniChem at EBI.