Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)\n\n

Chemical Info

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/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/HLVXFWDLRHCZEI-UHFFFAOYSA-N/CHMO0000599
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-04T13:28:07.147381
MetadataModified 2025-02-04T13:28:07.147387
MetadataPublished 2025-01-17
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J5.844K Nikkaji
ZINC000001532215 ZINC
DTXSID6059732 EPA CompTox Dashboard
CB7196825 ChemicalBook
C11323 KEGG Ligand
CHEMBL144298 ChEMBL
1751 ChEBI
166094 Brenda
4368945 PubChem
SCHEMBL66310 SureChEMBL
MCULE-6876311332 Mcule
67221 PubChem
PD119198 ProbesDrugs
14752650 PubChem: Thomson Pharma
148-25-4 ACToR
S596OD720M FDA SRS
731159 eMolecules
The data in this table is sourced from UniChem at EBI.