Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C23H26Cl3NO8/c1-3-11-31-21-17(27-22(30)23(24,25)26)19(34-16(29)10-9-13(2)28)18-15(33-21)12-32-20(35-18)14-7-5-4-6-8-14/h3-8,15,17-21H,1,9-12H2,2H3,(H,27,30)/t15-,17-,18-,19-,20?,21-/m1/s1
SMILES C=CCO[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)OC(=O)CCC(=O)C)c1ccccc1
InChI Key SMZPBAWVGNNTTI-DYTLHSPYSA-N
Molecular Formula C23H26Cl3NO8
Exact Mass 550.813 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SMZPBAWVGNNTTI-DYTLHSPYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/SMZPBAWVGNNTTI-DYTLHSPYSA-N/NMR/13C/CDCl3/100
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • [(4aR,6R,7R,8R,8aS)-2-phenyl-6-prop-2-enoxy-7-[(2,2,2-trichloroacetyl)amino]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 4-oxopentanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427302 PubChem
    The data in this table is sourced from UniChem at EBI.