Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H16Br2/c19-18(20)12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2
SMILES BrC(=Cc1cc2CCc3ccc(CCc1cc2)cc3)Br
InChI Key QTMOJOFFVQKIIZ-UHFFFAOYSA-N
Molecular Formula C18H16Br2
Exact Mass 392.128 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QTMOJOFFVQKIIZ-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/QTMOJOFFVQKIIZ-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-11
Related Molecule
  • 5-(2,2-dibromoethenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145915837 pubchem
    WEYLOC CCDC
    The data in this table is sourced from UniChem at EBI.