Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C30H27N3O6/c31-25-22(28(34)37-16-19-10-4-1-5-11-19)26(32)24(30(36)39-18-21-14-8-3-9-15-21)27(33)23(25)29(35)38-17-20-12-6-2-7-13-20/h1-15H,16-18,31-33H2
SMILES O=C(c1c(N)c(C(=O)OCc2ccccc2)c(c(c1N)C(=O)OCc1ccccc1)N)OCc1ccccc1
InChI Key MKKNIUYAPHYFAO-UHFFFAOYSA-N
Molecular Formula C30H27N3O6
Exact Mass 525.552 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MKKNIUYAPHYFAO-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MKKNIUYAPHYFAO-UHFFFAOYSA-N/CHMO0000593
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • tribenzyl 2,4,6-triaminobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163407587 PubChem
    The data in this table is sourced from UniChem at EBI.