Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H9I3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3
SMILES COC(=O)c1c(I)c(C(=O)OC)c(c(c1I)C(=O)OC)I
InChI Key QZCCCFBMZZXBEE-UHFFFAOYSA-N
Molecular Formula C12H9I3O6
Exact Mass 629.910 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QZCCCFBMZZXBEE-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QZCCCFBMZZXBEE-UHFFFAOYSA-N/CHMO0000593
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-05
Related Molecule
  • trimethyl 2,4,6-triiodobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169448342 PubChem
    The data in this table is sourced from UniChem at EBI.