Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H9Br3O6/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(Br)c(C(=O)OC)c(c(c1Br)C(=O)OC)Br
InChI Key BDZRYAKTXQRGMS-UHFFFAOYSA-N
Molecular Formula C12H9Br3O6
Exact Mass 488.908 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BDZRYAKTXQRGMS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/BDZRYAKTXQRGMS-UHFFFAOYSA-N/CHMO0000595
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-23
Related Molecule
  • trimethyl 2,4,6-tribromobenzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85852844 PubChem
    J1.927.393H Nikkaji
    The data in this table is sourced from UniChem at EBI.