Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H17IO3/c1-13-10-11-22(21(26)16-8-4-5-9-18(16)23)17(12-13)19(24)14-6-2-3-7-15(14)20(22)25/h2-10,17H,11-12H2,1H3/t17-,22+/m0/s1
SMILES CC1=CC[C@]2([C@@H](C1)C(=O)c1c(C2=O)cccc1)C(=O)c1ccccc1I
InChI Key HTUXSVMUHUMUTO-HTAPYJJXSA-N
Molecular Formula C22H17IO3
Exact Mass 456.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HTUXSVMUHUMUTO-HTAPYJJXSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HTUXSVMUHUMUTO-HTAPYJJXSA-N/CHMO0000593
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (4aR,9aR)-9a-(2-iodobenzoyl)-3-methyl-4,4a-dihydro-1H-anthracene-9,10-dione
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035829 PubChem
    The data in this table is sourced from UniChem at EBI.