Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C24H26BrNO6/c1-27-19-11-17(12-20(28-2)23(19)31-5)26(16-9-7-15(25)8-10-16)18-13-21(29-3)24(32-6)22(14-18)30-4/h7-14H,1-6H3
SMILES COc1c(OC)cc(cc1OC)N(c1cc(OC)c(c(c1)OC)OC)c1ccc(cc1)Br
InChI Key CFBVVJRUTGPKDN-UHFFFAOYSA-N
Molecular Formula C24H26BrNO6
Exact Mass 504.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CFBVVJRUTGPKDN-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CFBVVJRUTGPKDN-UHFFFAOYSA-N/CHMO0000470
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • N-(4-bromophenyl)-3,4,5-trimethoxy-N-(3,4,5-trimethoxyphenyl)aniline
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31257108 surechembl
    169408877 pubchem
    The data in this table is sourced from UniChem at EBI.