Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C54H51N3O6/c1-61-52(58)46-49(55(34-40-22-10-4-11-23-40)35-41-24-12-5-13-25-41)47(53(59)62-2)51(57(38-44-30-18-8-19-31-44)39-45-32-20-9-21-33-45)48(54(60)63-3)50(46)56(36-42-26-14-6-15-27-42)37-43-28-16-7-17-29-43/h4-33H,34-39H2,1-3H3
SMILES COC(=O)c1c(N(Cc2ccccc2)Cc2ccccc2)c(C(=O)OC)c(c(c1N(Cc1ccccc1)Cc1ccccc1)C(=O)OC)N(Cc1ccccc1)Cc1ccccc1
InChI Key UTSLQYVRSXYTGW-UHFFFAOYSA-N
Molecular Formula C54H51N3O6
Exact Mass 837.999 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UTSLQYVRSXYTGW-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/UTSLQYVRSXYTGW-UHFFFAOYSA-N/CHMO0000498
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • trimethyl 2,4,6-tris(dibenzylamino)benzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407583 PubChem
    The data in this table is sourced from UniChem at EBI.