Dataset

11B nuclear magnetic resonance spectroscopy (11B NMR)

dataset for 11B nuclear magnetic resonance spectroscopy (11B NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H17BO4S/c1-11(2)12(3,4)17-13(16-11)10-9-8(7-18-10)14-5-6-15-9/h7H,5-6H2,1-4H3
SMILES CC1(C)OB(OC1(C)C)c1scc2c1OCCO2
InChI Key HRLHWIMNIQOHRF-UHFFFAOYSA-N
Molecular Formula C12H17BO4S
Exact Mass 268.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HRLHWIMNIQOHRF-UHFFFAOYSA-N/CHMO0000594
License URL
Source https://www.chemotion-repository.net/inchikey/HRLHWIMNIQOHRF-UHFFFAOYSA-N/CHMO0000594
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:55:22.466919
MetadataModified 2024-09-08T01:55:22.466924
MetadataPublished 2023-11-13
Field Value
Measurement Technique 11B nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
727568 eMolecules
15417854 PubChem
DTXSID10572586 EPA CompTox Dashboard
ZINC000169743716 ZINC
SCHEMBL4342060 SureChEMBL
CB4105769 ChemicalBook
OQUTAW CCDC
J1.171.196K Nikkaji
The data in this table is sourced from UniChem at EBI.