Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H15BrO/c18-17-15-8-6-13-3-1-12(2-4-13)5-7-14(9-10-15)16(17)11-19/h1-4,9-11H,5-8H2
SMILES O=Cc1c2CCc3ccc(CCc(c1Br)cc2)cc3
InChI Key HOTMMJRJOHGLRS-UHFFFAOYSA-N
Molecular Formula C17H15BrO
Exact Mass 315.204 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HOTMMJRJOHGLRS-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/HOTMMJRJOHGLRS-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-11
Related Molecule
  • 6-bromotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.301.868A Nikkaji
    102134722 PubChem
    The data in this table is sourced from UniChem at EBI.