Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H12Br4/c17-13-7-11-3-4-12-8-15(19)10(6-16(12)20)2-1-9(13)5-14(11)18/h5-8H,1-4H2
SMILES Brc1cc2CCc3cc(c(CCc1cc2Br)cc3Br)Br
InChI Key JCAGGFRQIGZDDO-UHFFFAOYSA-N
Molecular Formula C16H12Br4
Exact Mass 523.882 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JCAGGFRQIGZDDO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JCAGGFRQIGZDDO-UHFFFAOYSA-N/CHMO0000595
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-10
Related Molecule
  • 5,11,13,15-tetrabromotricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    17971149 surechembl
    4594689 pubchem
    MECWAT CCDC
    Molport-003-912-318 molport
    The data in this table is sourced from UniChem at EBI.