Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C40H58N6O11/c1-29(47)45(25-9-5-21-43-37(53)31-11-15-33(49)16-12-31)23-7-3-19-41-35(51)27-40(57,39(55)56)28-36(52)42-20-4-8-24-46(30(2)48)26-10-6-22-44-38(54)32-13-17-34(50)18-14-32/h11-18,49-50,57H,3-10,19-28H2,1-2H3,(H,41,51)(H,42,52)(H,43,53)(H,44,54)(H,55,56)
SMILES OC(=O)C(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(cc1)O)(CC(=O)NCCCCN(C(=O)C)CCCCNC(=O)c1ccc(cc1)O)O
InChI Key LTFKTMFKBLWIPD-UHFFFAOYSA-N
Molecular Formula C40H58N6O11
Exact Mass 798.922 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LTFKTMFKBLWIPD-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LTFKTMFKBLWIPD-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Mertens
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • nfdi4chem-mol8744 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    temperature : 298.1 K

    PULPROG : zg30

    number of scans : 256 scans

    Title : iocich-MM-ML

    Date : 20241104

    Starting time : 15.50 h

    instrument : spect

    label : MWM-78

    id : 128196

    Solvent used for referencing : D2O

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.