Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C35H28N6/c1-39-23-22-36-34(39)35(40-32(28-18-10-4-11-19-28)24-30(37-40)26-14-6-2-7-15-26)41-33(29-20-12-5-13-21-29)25-31(38-41)27-16-8-3-9-17-27/h2-25,35H,1H3
SMILES Cn1ccnc1C(n1nc(cc1c1ccccc1)c1ccccc1)n1nc(cc1c1ccccc1)c1ccccc1
InChI Key LSGGPBYVWWQPOY-UHFFFAOYSA-N
Molecular Formula C35H28N6
Exact Mass 532.637 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LSGGPBYVWWQPOY-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LSGGPBYVWWQPOY-UHFFFAOYSA-N/CHMO0000593
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-27
Related Molecule
  • 1-[(3,5-diphenylpyrazol-1-yl)-(1-methylimidazol-2-yl)methyl]-3,5-diphenylpyrazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145944164 PubChem
    ESIVIO CCDC
    The data in this table is sourced from UniChem at EBI.