Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Info

molecular Image
InChI InChI=1S/C9H10O3/c1-6-3-8(11)5-9(4-6)12-7(2)10/h3-5,11H,1-2H3
SMILES CC(=O)Oc1cc(C)cc(c1)O
InChI Key WNNFOAQKFKIJQP-UHFFFAOYSA-N
Molecular Formula C9H10O3
Exact Mass 166.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-01-19
Related Molecule
  • (3-hydroxy-5-methylphenyl) acetate
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : SG-v4016 (8-15)

    date : 20231107

    starting time : 0.05 h

    instrument : spect

    label : SG-3399

    id : 281949

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    22722640 PubChem
    J152.643J Nikkaji
    SCHEMBL6749439 SureChEMBL
    The data in this table is sourced from UniChem at EBI.