Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H20NP/c1-21(2)19-15-9-10-16-20(19)22(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16H,1-2H3
SMILES CN(c1ccccc1P(c1ccccc1)c1ccccc1)C
InChI Key LRZUEXVJCUCZCM-UHFFFAOYSA-N
Molecular Formula C20H20NP
Exact Mass 305.353 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LRZUEXVJCUCZCM-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/LRZUEXVJCUCZCM-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Xuemin Gan
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-09
Related Molecule
  • 2-diphenylphosphanyl-N,N-dimethylaniline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Mar11-2024

    date : 20240311

    starting time : 12.34 h

    label : VF-829

    id : 114635

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    SCHEMBL1622430 SureChEMBL
    16438807 PubChem: Thomson Pharma
    10930485 PubChem
    DTXSID30448653 EPA CompTox Dashboard
    QAKQEY CCDC
    J1.024.298C Nikkaji
    The data in this table is sourced from UniChem at EBI.