Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C25H22N2O/c28-25-21-13-11-19-8-6-18(7-9-19)10-12-20(14-15-21)24(25)23-16-17-26-27(23)22-4-2-1-3-5-22/h1-9,14-17,28H,10-13H2
SMILES Oc1c2CCc3ccc(CCc(c1c1ccnn1c1ccccc1)cc2)cc3
InChI Key VUKPBNSKKWDHQI-UHFFFAOYSA-N
Molecular Formula C25H22N2O
Exact Mass 366.455 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VUKPBNSKKWDHQI-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/VUKPBNSKKWDHQI-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author Mark Busch
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 6-(2-phenylpyrazol-3-yl)tricyclo[8.2.2.2^{4,7}]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    UFUTEW CCDC
    136259469 PubChem
    J3.237.260K Nikkaji
    The data in this table is sourced from UniChem at EBI.