Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C23H19IO3/c1-13-11-18-20(25)15-7-3-4-8-16(15)21(26)23(18,12-14(13)2)22(27)17-9-5-6-10-19(17)24/h3-10,18H,11-12H2,1-2H3/t18-,23+/m0/s1
SMILES CC1=C(C)C[C@]2([C@@H](C1)C(=O)c1ccccc1C2=O)C(=O)c1ccccc1I
InChI Key BJHRMKGCWPVAHU-FDDCHVKYSA-N
Molecular Formula C23H19IO3
Exact Mass 470.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BJHRMKGCWPVAHU-FDDCHVKYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BJHRMKGCWPVAHU-FDDCHVKYSA-N/CHMO0000593
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • (4aR,9aR)-9a-(2-iodobenzoyl)-2,3-dimethyl-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
    146035836 PubChem
    UYUDAW CCDC
    The data in this table is sourced from UniChem at EBI.