Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HRLHWIMNIQOHRF-UHFFFAOYSA-N/CHMO0000595
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    727568 eMolecules
    15417854 PubChem
    SCHEMBL4342060 SureChEMBL
    DTXSID10572586 EPA CompTox Dashboard
    CB4105769 ChemicalBook
    OQUTAW CCDC
    J1.171.196K Nikkaji
    ZINC000169743716 ZINC
    The data in this table is sourced from UniChem at EBI.