Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H18BrNO/c1-21-20-12-17-15-8-6-13-2-4-14(5-3-13)7-9-16(11-10-15)18(17)19/h2-5,10-12H,6-9H2,1H3/b20-12+
SMILES CO/N=C/c1c2ccc(c1Br)CCc1ccc(CC2)cc1
InChI Key VQEGCJLHLBTWRF-UDWIEESQSA-N
Molecular Formula C18H18BrNO
Exact Mass 344.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VQEGCJLHLBTWRF-UDWIEESQSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/VQEGCJLHLBTWRF-UDWIEESQSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-11
Related Molecule
  • (E)-1-(6-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-N-methoxymethanimine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.301.866E Nikkaji
    145915835 PubChem
    The data in this table is sourced from UniChem at EBI.