Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C63H37N7O/c64-38-48-58(67-49-30-12-4-22-40(49)41-23-5-13-31-50(41)67)57(63-66-65-62(71-63)39-20-2-1-3-21-39)60(69-53-34-16-8-26-44(53)45-27-9-17-35-54(45)69)61(70-55-36-18-10-28-46(55)47-29-11-19-37-56(47)70)59(48)68-51-32-14-6-24-42(51)43-25-7-15-33-52(43)68/h1-37H
SMILES N#Cc1c(n2c3ccccc3c3c2cccc3)c(c2nnc(o2)c2ccccc2)c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2
InChI Key ATUZFDMBQXVVAX-UHFFFAOYSA-N
Molecular Formula C63H37N7O
Exact Mass 908.014 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ATUZFDMBQXVVAX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ATUZFDMBQXVVAX-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-01-14
Related Molecule
  • 2,3,4,6-tetra(carbazol-9-yl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145864155 PubChem
    The data in this table is sourced from UniChem at EBI.