Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H
SMILES O=Cc1ccc(cc1)Cl
InChI Key AVPYQKSLYISFPO-UHFFFAOYSA-N
Molecular Formula C7H5ClO
Exact Mass 140.567 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AVPYQKSLYISFPO-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/AVPYQKSLYISFPO-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-01-12
Related Molecule
  • 4-chlorobenzaldehyde
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : SVS-CCP-2425

    date : 20231212

    starting time : 7.53 h

    label : CCP-2301

    id : 139539

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEMBL1474 chembl
    1919 surechembl
    7726 pubchem
    E67727UP9Z fdasrs
    YICFAR CCDC
    124480 brenda
    137031 brenda
    140883 brenda
    2129 brenda
    55801 brenda
    58060 brenda
    9346 brenda
    HMDB0246392 hmdb
    Molport-000-871-202 molport
    The data in this table is sourced from UniChem at EBI.