Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
SMILES Oc1cccc(c1)C(=O)O
InChI Key IJFXRHURBJZNAO-UHFFFAOYSA-N
Molecular Formula C7H6O3
Exact Mass 138.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IJFXRHURBJZNAO-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/IJFXRHURBJZNAO-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 3-hydroxybenzoic acid
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HY-W004049 MedChemExpress
    50336491 BindingDB
    J43.202D Nikkaji
    BIDLOP CCDC
    DTXSID6021610 EPA CompTox Dashboard
    30764 ChEBI
    C00587 KEGG Ligand
    CHEMBL65369 ChEMBL
    3HB PDBe
    10024829 NMRShiftDB
    MCULE-3607182166 Mcule
    43303 Brenda
    HMDB0002466 Human Metabolome Database
    CB4854760 ChemicalBook
    13194 Brenda
    MTBLC30764 Metabolights
    3970 Brenda
    1002 Brenda
    ZINC000000388754 ZINC
    15219055 PubChem: Thomson Pharma
    SCHEMBL40078 SureChEMBL
    10476-50-3 ACToR
    99-06-9 ACToR
    2ZFW40OJ7U FDA SRS
    PD144440 ProbesDrugs
    7420 PubChem
    519605 eMolecules
    The data in this table is sourced from UniChem at EBI.