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/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H
SMILES O=Cc1cc(O)cc(c1)O
InChI Key HAQLHRYUDBKTJG-UHFFFAOYSA-N
Molecular Formula C7H6O3
Exact Mass 138.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HAQLHRYUDBKTJG-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/HAQLHRYUDBKTJG-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-04
Related Molecule
  • 3,5-dihydroxybenzaldehyde
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    94365 PubChem
    14747740 PubChem: Thomson Pharma
    PD131130 ProbesDrugs
    26153-38-8 ACToR
    SCHEMBL37131 SureChEMBL
    501807 eMolecules
    20035551 NMRShiftDB
    CB6443157 ChemicalBook
    ZINC000002566024 ZINC
    50204 ChEBI
    DTXSID60180776 EPA CompTox Dashboard
    J20.078F Nikkaji
    MCULE-3087026244 Mcule
    The data in this table is sourced from UniChem at EBI.