Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C20H20N2O/c1-22-13-12-18(21-22)19-16-8-6-14-2-4-15(5-3-14)7-9-17(11-10-16)20(19)23/h2-5,10-13,23H,6-9H2,1H3
SMILES Cn1ccc(n1)c1c2ccc(c1O)CCc1ccc(CC2)cc1
InChI Key WKOIUDMFDRXZAB-UHFFFAOYSA-N
Molecular Formula C20H20N2O
Exact Mass 304.386 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WKOIUDMFDRXZAB-UHFFFAOYSA-N/Xray
License URL
Source https://www.chemotion-repository.net/inchikey/WKOIUDMFDRXZAB-UHFFFAOYSA-N/Xray
Version
Author Mark Busch
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 6-(1-methylpyrazol-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 X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    UFUTOG CCDC
    136259458 PubChem
    J3.237.258I Nikkaji
    The data in this table is sourced from UniChem at EBI.