Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C56H34N12/c1-9-25-41-33(17-1)34-18-2-10-26-42(34)65(41)51-49(55-57-61-62-58-55)52(66-43-27-11-3-19-35(43)36-20-4-12-28-44(36)66)54(68-47-31-15-7-23-39(47)40-24-8-16-32-48(40)68)53(50(51)56-59-63-64-60-56)67-45-29-13-5-21-37(45)38-22-6-14-30-46(38)67/h1-32H,(H,57,58,61,62)(H,59,60,63,64)
SMILES c1ccc2c(c1)c1ccccc1n2c1c(c2[nH]nnn2)c(c(c(c1n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2)c1[nH]nnn1)n1c2ccccc2c2c1cccc2
InChI Key BPVDQFVACPJFLX-UHFFFAOYSA-N
Molecular Formula C56H34N12
Exact Mass 874.950 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BPVDQFVACPJFLX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BPVDQFVACPJFLX-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Hundemer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-01
Related Molecule
  • 9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(1H-tetrazol-5-yl)phenyl]carbazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453621 PubChem
    145915828 PubChem
    The data in this table is sourced from UniChem at EBI.