Dataset

11B nuclear magnetic resonance spectroscopy (11B NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-14-8/h5-7H,1-4H3
SMILES CC1(C)OB(OC1(C)C)c1cccs1
InChI Key FFZHICFAHSDFKZ-UHFFFAOYSA-N
Molecular Formula C10H15BO2S
Exact Mass 210.101 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FFZHICFAHSDFKZ-UHFFFAOYSA-N/CHMO0000594
License URL
Source https://www.chemotion-repository.net/inchikey/FFZHICFAHSDFKZ-UHFFFAOYSA-N/CHMO0000594
Version
Author Steffen Otterbach
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-13
Related Molecule
  • 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique 11B nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10703628 PubChem
    193978-23-3 ACToR
    1984257 eMolecules
    15738013 PubChem: Thomson Pharma
    SCHEMBL121468 SureChEMBL
    KUJRUD CCDC
    J871.099F Nikkaji
    ZINC000169744933 ZINC
    DTXSID40443735 EPA CompTox Dashboard
    CB6145503 ChemicalBook
    The data in this table is sourced from UniChem at EBI.