Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C20H18FNO2/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)F
InChI Key WFRXNFYMSQQOHC-UHFFFAOYSA-N
Molecular Formula C20H18FNO2
Exact Mass 323.361 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WFRXNFYMSQQOHC-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/WFRXNFYMSQQOHC-UHFFFAOYSA-N/CHMO0001146
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • N-(4-fluorophenyl)-4-methoxy-N-(4-methoxyphenyl)aniline
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Jun14-2023

    date : 20230615

    starting time : 4.48 h

    label : HT-1053

    id : 264365

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    J3.172.154G Nikkaji
    102198005 PubChem
    The data in this table is sourced from UniChem at EBI.