Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C23H23NO6/c1-2-13-29-21(25)12-11-20(22(26)27)24-23(28)30-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-20H,1,11-14H2,(H,24,28)(H,26,27)/t20-/m1/s1
SMILES C=CCOC(=O)CC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
InChI Key LRBARFFNYOKIAX-HXUWFJFHSA-N
Molecular Formula C23H23NO6
Exact Mass 409.432 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LRBARFFNYOKIAX-HXUWFJFHSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/LRBARFFNYOKIAX-HXUWFJFHSA-N/CHMO0000596.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-08
Related Molecule
  • (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-prop-2-enoxypentanoic acid
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SVS-CC05166

    Date : 20240320

    Start time : 1.45 h

    Label : SVS-2871

    ID : 298032

    Solvent : MeOD

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    11036992 PubChem
    16101228 PubChem: Thomson Pharma
    ZINC000002572446 ZINC
    CB8698038 ChemicalBook
    The data in this table is sourced from UniChem at EBI.