Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C42H30BrN3/c43-31-21-23-36(24-22-31)46-41-27-25-37(44(32-13-5-1-6-14-32)33-15-7-2-8-16-33)29-39(41)40-30-38(26-28-42(40)46)45(34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-30H
SMILES Brc1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
InChI Key MLTRNKBZPBNLNL-UHFFFAOYSA-N
Molecular Formula C42H30BrN3
Exact Mass 656.612 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MLTRNKBZPBNLNL-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/MLTRNKBZPBNLNL-UHFFFAOYSA-N/CHMO0000470
Version
Author Pit Turpel
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-08
Related Molecule
  • 9-(4-bromophenyl)-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85971922 PubChem
    SCHEMBL17449607 SureChEMBL
    The data in this table is sourced from UniChem at EBI.