Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C23H25NO6/c1-2-28-21(25)23(27)12-6-10-18-17(23)14-19(20-11-7-13-29-20)24(18)22(26)30-15-16-8-4-3-5-9-16/h3-11,13,17-19,27H,2,12,14-15H2,1H3/t17-,18-,19-,23?/m0/s1
SMILES CCOC(=O)C1(O)CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1
InChI Key BSSSUBNNKWOSSG-BBGGMCIKSA-N
Molecular Formula C23H25NO6
Exact Mass 411.448 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BSSSUBNNKWOSSG-BBGGMCIKSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/BSSSUBNNKWOSSG-BBGGMCIKSA-N/NMR/13C/CDCl3/100
Version
Author Paul Sauter
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-O-benzyl 4-O-ethyl (2S,3aS,7aS)-2-(furan-2-yl)-4-hydroxy-3,3a,5,7a-tetrahydro-2H-indole-1,4-dicarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427496 pubchem
    The data in this table is sourced from UniChem at EBI.