Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C25H22N2O3/c1-15-22(26-24(28)16-8-4-3-5-9-16)20-14-17(30-2)12-13-21(20)27-23(15)18-10-6-7-11-19(18)25(27)29/h3-15,22-23H,1-2H3,(H,26,28)/t15-,22-,23-/m1/s1
SMILES COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1)[C@H]([C@H]1N2C(=O)c2c1cccc2)C
InChI Key NWCOERFKLVQQOI-DURYTUKUSA-N
Molecular Formula C25H22N2O3
Exact Mass 398.454 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NWCOERFKLVQQOI-DURYTUKUSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NWCOERFKLVQQOI-DURYTUKUSA-N/CHMO0000595
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-22
Related Molecule
  • N-[(5R,6R,6aR)-3-methoxy-6-methyl-11-oxo-6,6a-dihydro-5H-isoindolo[2,1-a]quinolin-5-yl]benzamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168059113 PubChem
    The data in this table is sourced from UniChem at EBI.