Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C24H28N2O5/c1-13-20(25-22(28)31-23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m1/s1
SMILES COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)OC(C)(C)C)C
InChI Key SZDDBJUCKXVGLQ-FYGPSGDNSA-N
Molecular Formula C24H28N2O5
Exact Mass 424.490 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SZDDBJUCKXVGLQ-FYGPSGDNSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SZDDBJUCKXVGLQ-FYGPSGDNSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • tert-butyl N-[(1R,2R,3R)-5,7-dimethoxy-2-methyl-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]carbamate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169452740 pubchem
    The data in this table is sourced from UniChem at EBI.