Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H
SMILES O=C(C(=O)c1cccs1)c1cccs1
InChI Key UNWKVSDABPCZMK-UHFFFAOYSA-N
Molecular Formula C10H6O2S2
Exact Mass 222.283 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UNWKVSDABPCZMK-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UNWKVSDABPCZMK-UHFFFAOYSA-N/CHMO0000593
Version
Author N. Maximilian Bojanowski
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:54:02.892691
MetadataModified 2024-09-07T23:44:27.638239
MetadataPublished 2022-11-04
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL365445 ChEMBL
CB3180776 ChemicalBook
240743 Brenda
DTXSID10298198 EPA CompTox Dashboard
50171922 BindingDB
J466.225C Nikkaji
TAHNEW CCDC
ZINC000001710767 ZINC
MCULE-9532641926 Mcule
21111 NMRShiftDB
79679 Brenda
509724 eMolecules
275005 PubChem
16107439 PubChem: Thomson Pharma
SCHEMBL1066873 SureChEMBL
7333-07-5 ACToR
The data in this table is sourced from UniChem at EBI.