Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Info

molecular Image
InChI InChI=1S/C30H18F15NO2/c1-48-18-13-11-17(12-14-18)22-21(19-9-5-6-10-20(19)46(22)15-16-7-3-2-4-8-16)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3
SMILES COc1ccc(cc1)c1c(c2c(n1Cc1ccccc1)cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key CMRJXBBRHLJGQM-UHFFFAOYSA-N
Molecular Formula C30H18F15NO2
Exact Mass 709.445 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CMRJXBBRHLJGQM-UHFFFAOYSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/CMRJXBBRHLJGQM-UHFFFAOYSA-N/CHMO0000156
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • 1-[1-benzyl-2-(4-methoxyphenyl)indol-3-yl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-one
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889707 PubChem
    The data in this table is sourced from UniChem at EBI.