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/CHMO0000595.1
License URL
Source https://www.chemotion-repository.net/inchikey/XXCDCFFPMMCPEE-UHFFFAOYSA-N/CHMO0000595.1
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • N-(4-bromophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Jul28-2023

    Date : 20230729

    Start time : 14.46 h

    Label : HT-1075

    ID : 266868

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    10596161 PubChem
    CB32550526 ChemicalBook
    J2.112.797C Nikkaji
    ZINC000039060870 ZINC
    SCHEMBL578301 SureChEMBL
    15625409 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.