Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/LRBARFFNYOKIAX-HXUWFJFHSA-N/CHMO0001146
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 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : SVS-CC05166

    date : 20240320

    starting time : 1.47 h

    label : SVS-2871

    id : 298032

    Solvent : MeOD

    temperature : 300.1 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    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.