Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C25H31N2.BrH/c1-26(2)24-7-5-19(6-8-24)3-4-20-9-11-27(12-10-20)25-16-21-13-22(17-25)15-23(14-21)18-25;/h3-12,21-23H,13-18H2,1-2H3;1H/q+1;/p-1
SMILES CN(c1ccc(cc1)/C=C/c1cc[n+](cc1)C12CC3CC(C2)CC(C1)C3)C.[Br-]
InChI Key ULNWEZYJTNMIQQ-UHFFFAOYSA-M
Molecular Formula C25H31BrN2
Exact Mass 439.431 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ULNWEZYJTNMIQQ-UHFFFAOYSA-M/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ULNWEZYJTNMIQQ-UHFFFAOYSA-M/CHMO0000595
Version
Author Changming Hu
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-12-09
Related Molecule
  • 4-[(E)-2-[1-(1-adamantyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;bromide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11826294 PubChem
    The data in this table is sourced from UniChem at EBI.