Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)
SMILES Oc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O
InChI Key HLVXFWDLRHCZEI-UHFFFAOYSA-N
Molecular Formula C10H8O8S2
Exact Mass 320.296 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HLVXFWDLRHCZEI-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/HLVXFWDLRHCZEI-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-17
Related Molecule
  • 4,5-dihydroxynaphthalene-2,7-disulfonic acid
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:1751 chebi
    CHEMBL144298 chembl
    29429654 surechembl
    66310 surechembl
    4368945 pubchem
    67221 pubchem
    S596OD720M fdasrs
    PD119198 probes_and_drugs
    166094 brenda
    Molport-001-789-024 molport
    The data in this table is sourced from UniChem at EBI.