Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C39H33N9O6/c1-4-52-37(49)31-34(46-22-28(40-43-46)25-16-10-7-11-17-25)32(38(50)53-5-2)36(48-24-30(42-45-48)27-20-14-9-15-21-27)33(39(51)54-6-3)35(31)47-23-29(41-44-47)26-18-12-8-13-19-26/h7-24H,4-6H2,1-3H3
SMILES CCOC(=O)c1c(n2nnc(c2)c2ccccc2)c(C(=O)OCC)c(c(c1n1nnc(c1)c1ccccc1)C(=O)OCC)n1nnc(c1)c1ccccc1
InChI Key UOEJOXKVDYCQAH-UHFFFAOYSA-N
Molecular Formula C39H33N9O6
Exact Mass 723.736 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UOEJOXKVDYCQAH-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/UOEJOXKVDYCQAH-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • triethyl 2,4,6-tris(4-phenyltriazol-1-yl)benzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407586 PubChem
    The data in this table is sourced from UniChem at EBI.