Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C39H33N/c1-26-22-27(2)35-25-37(34-20-18-32(19-21-34)31-6-4-3-5-7-31)39(40-38(35)23-26)36-24-30-13-12-28-8-10-29(11-9-28)14-16-33(36)17-15-30/h3-11,15,17-25H,12-14,16H2,1-2H3
SMILES Cc1cc(C)c2c(c1)nc(c(c2)c1ccc(cc1)c1ccccc1)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key KEPIYMCLMODAHR-UHFFFAOYSA-N
Molecular Formula C39H33N
Exact Mass 515.686 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KEPIYMCLMODAHR-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/KEPIYMCLMODAHR-UHFFFAOYSA-N/CHMO0000563
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 5,7-dimethyl-3-(4-phenylphenyl)-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)quinoline
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    171392089 pubchem
    The data in this table is sourced from UniChem at EBI.