Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C29H20F3NO/c30-29(31,32)23-17-15-22(16-18-23)28(34)26-24-13-7-8-14-25(24)33(19-20-9-3-1-4-10-20)27(26)21-11-5-2-6-12-21/h1-18H,19H2
SMILES O=C(c1c2ccccc2n(c1c1ccccc1)Cc1ccccc1)c1ccc(cc1)C(F)(F)F
InChI Key UWXZJIWLWRKQHS-UHFFFAOYSA-N
Molecular Formula C29H20F3NO
Exact Mass 455.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWXZJIWLWRKQHS-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/UWXZJIWLWRKQHS-UHFFFAOYSA-N/CHMO0000470
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-15
Related Molecule
  • (1-benzyl-2-phenylindol-3-yl)-[4-(trifluoromethyl)phenyl]methanone
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889695 PubChem
    The data in this table is sourced from UniChem at EBI.