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/C22H22NP/c1-3-11-19(12-4-1)24(20-13-5-2-6-14-20)22-16-8-7-15-21(22)23-17-9-10-18-23/h1-8,11-16H,9-10,17-18H2
SMILES c1ccc(cc1)P(c1ccccc1N1CCCC1)c1ccccc1
InChI Key DURJDCPEGCENSX-UHFFFAOYSA-N
Molecular Formula C22H22NP
Exact Mass 331.391 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DURJDCPEGCENSX-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/DURJDCPEGCENSX-UHFFFAOYSA-N/CHMO0001146
Version
Author Xuemin Gan
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-09
Related Molecule
  • diphenyl-(2-pyrrolidin-1-ylphenyl)phosphane
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Apr26-2024-braese

    date : 20240429

    starting time : 16.39 h

    label : VF-928

    id : 116492

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    J3.239.840E Nikkaji
    102528353 PubChem
    SCHEMBL19303201 SureChEMBL
    The data in this table is sourced from UniChem at EBI.