Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C23H26N2O/c1-16(2)15-25-14-13-21(24-25)22-19-9-7-17-3-5-18(6-4-17)8-10-20(12-11-19)23(22)26/h3-6,11-14,16,26H,7-10,15H2,1-2H3
SMILES CC(Cn1ccc(n1)c1c2CCc3ccc(CCc(c1O)cc2)cc3)C
InChI Key HPIPAAZIIUXWFZ-UHFFFAOYSA-N
Molecular Formula C23H26N2O
Exact Mass 346.465 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HPIPAAZIIUXWFZ-UHFFFAOYSA-N/Xray
License URL
Source https://www.chemotion-repository.net/inchikey/HPIPAAZIIUXWFZ-UHFFFAOYSA-N/Xray
Version
Author Mark Busch
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 6-[1-(2-methylpropyl)pyrazol-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
    136259622 PubChem
    The data in this table is sourced from UniChem at EBI.