Dataset

1H--13C heteronuclear correlation spectroscopy (1H-13C COSY)

dataset for 1H--13C heteronuclear correlation spectroscopy (1H-13C COSY)

Chemical Information

molecular Image
InChI InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m1/s1
SMILES C=CCOC(=O)NCCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2
InChI Key OJBNDXHENJDCBA-JOCHJYFZSA-N
Molecular Formula C25H28N2O6
Exact Mass 452.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OJBNDXHENJDCBA-JOCHJYFZSA-N/CHMO0002380
License URL
Source https://www.chemotion-repository.net/inchikey/OJBNDXHENJDCBA-JOCHJYFZSA-N/CHMO0002380
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-08
Related Molecule
  • (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hexanoic acid
    • Field Value
    Measurement Technique 1H–13C heteronuclear correlation spectroscopy
    Measurement Variables
    title : SVS-CC05206

    date : 20240316

    starting time : 0.21 h

    label : SV-434

    id : 118440

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    51340505 PubChem
    ZINC000015722156 ZINC
    DTXSID40679799 EPA CompTox Dashboard
    CB6365103 ChemicalBook
    8829870 eMolecules
    SCHEMBL178771 SureChEMBL
    The data in this table is sourced from UniChem at EBI.