Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C36H24Br3N9O6/c1-52-34(49)28-31(46-16-25(40-43-46)19-4-10-22(37)11-5-19)29(35(50)53-2)33(48-18-27(42-45-48)21-8-14-24(39)15-9-21)30(36(51)54-3)32(28)47-17-26(41-44-47)20-6-12-23(38)13-7-20/h4-18H,1-3H3
SMILES COC(=O)c1c(n2nnc(c2)c2ccc(cc2)Br)c(C(=O)OC)c(c(c1n1nnc(c1)c1ccc(cc1)Br)C(=O)OC)n1nnc(c1)c1ccc(cc1)Br
InChI Key HIJXLLJBVNQJME-UHFFFAOYSA-N
Molecular Formula C36H24Br3N9O6
Exact Mass 918.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • trimethyl 2,4,6-tris[4-(4-bromophenyl)triazol-1-yl]benzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407589 PubChem
    The data in this table is sourced from UniChem at EBI.