Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C36H44N2/c1-33(2,3)25-15-23(16-26(19-25)34(4,5)6)29-13-14-30(32(22-38)31(29)21-37)24-17-27(35(7,8)9)20-28(18-24)36(10,11)12/h13-20H,1-12H3
SMILES N#Cc1c(C#N)c(ccc1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
InChI Key CFKZSKBEXBRRKD-UHFFFAOYSA-N
Molecular Formula C36H44N2
Exact Mass 504.748 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CFKZSKBEXBRRKD-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CFKZSKBEXBRRKD-UHFFFAOYSA-N/CHMO0000470
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • 3,6-bis(3,5-ditert-butylphenyl)benzene-1,2-dicarbonitrile
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.