Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C23H21IO5/c1-28-22(29-2)11-12-23(21(27)16-9-5-6-10-18(16)24)17(13-22)19(25)14-7-3-4-8-15(14)20(23)26/h3-10,17H,11-13H2,1-2H3
SMILES COC1(OC)CCC2(C(C1)C(=O)c1c(C2=O)cccc1)C(=O)c1ccccc1I
InChI Key UXHJHTBPRQFFKM-UHFFFAOYSA-N
Molecular Formula C23H21IO5
Exact Mass 504.314 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UXHJHTBPRQFFKM-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UXHJHTBPRQFFKM-UHFFFAOYSA-N/CHMO0000595
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • 9a-(2-iodobenzoyl)-3,3-dimethoxy-1,2,4,4a-tetrahydroanthracene-9,10-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035819 PubChem
    The data in this table is sourced from UniChem at EBI.