Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C44H49N5/c1-41(2,3)25-21-27-28-22-26(42(4,5)6)24-30(38-40(44(10,11)12)48-34-20-16-14-18-32(34)46-38)36(28)49-35(27)29(23-25)37-39(43(7,8)9)47-33-19-15-13-17-31(33)45-37/h13-24,49H,1-12H3
SMILES CC(c1cc(c2nc3ccccc3nc2C(C)(C)C)c2c(c1)c1cc(cc(c1[nH]2)c1nc2ccccc2nc1C(C)(C)C)C(C)(C)C)(C)C
InChI Key NHJSAGXAFNAWQK-UHFFFAOYSA-N
Exact Mass 647.893 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NHJSAGXAFNAWQK-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/NHJSAGXAFNAWQK-UHFFFAOYSA-N/CHMO0000470
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 3,6-ditert-butyl-1,8-bis(3-tert-butylquinoxalin-2-yl)-9H-carbazole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.