Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C20H19NO2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h3-15H,1-2H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccccc1
InChI Key ZJPTYHDCQPDNBH-UHFFFAOYSA-N
Molecular Formula C20H19NO2
Exact Mass 305.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZJPTYHDCQPDNBH-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZJPTYHDCQPDNBH-UHFFFAOYSA-N/CHMO0000593
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Mar27-2024

    date : 20240327

    starting time : 9.17 h

    label : HT-1194

    id : 288362

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    SCHEMBL578164 SureChEMBL
    10543043 PubChem
    J1.807.918F Nikkaji
    CB12500633 ChemicalBook
    ZINC000039004550 ZINC
    DTXSID30441568 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.