Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C7H9BO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
SMILES CSc1ccccc1B(O)O
InChI Key QXBWTYBCNFKURT-UHFFFAOYSA-N
Molecular Formula C7H9BO2S
Exact Mass 168.021 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXBWTYBCNFKURT-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/QXBWTYBCNFKURT-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-06
Related Molecule
  • (2-methylsulfanylphenyl)boronic acid
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : GH_168618-42-6_CDCl3

    date : 20240710

    starting time : 13.40 h

    label : GEH-43

    id : 118680

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : AVIII300

    Data-Source Molecule ID Data-Source
    CHEMBL352894 chembl
    24389 surechembl
    29367623 surechembl
    2773543 pubchem
    Molport-000-139-853 molport
    The data in this table is sourced from UniChem at EBI.