Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H18BrNO2/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18/h3-14H,1-2H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)Br
InChI Key XXCDCFFPMMCPEE-UHFFFAOYSA-N
Molecular Formula C20H18BrNO2
Exact Mass 384.266 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XXCDCFFPMMCPEE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XXCDCFFPMMCPEE-UHFFFAOYSA-N/CHMO0000595
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • N-(4-bromophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    578301 surechembl
    10596161 pubchem
    Molport-039-010-323 molport
    The data in this table is sourced from UniChem at EBI.