Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C12H15BO2S2/c1-11(2)12(3,4)15-13(14-11)10-7-9-8(17-10)5-6-16-9/h5-7H,1-4H3
SMILES CC1(C)OB(OC1(C)C)c1sc2c(c1)scc2
InChI Key ZOGRODFFPRPMDQ-UHFFFAOYSA-N
Molecular Formula C12H15BO2S2
Exact Mass 266.187 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZOGRODFFPRPMDQ-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/ZOGRODFFPRPMDQ-UHFFFAOYSA-N/CHMO0001146
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • 4,4,5,5-tetramethyl-2-thieno[3,2-b]thiophen-5-yl-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Jul21-2023

    date : 20230722

    starting time : 19.01 h

    label : HT-1262

    id : 300884

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    3842639 surechembl
    58012946 pubchem
    Molport-046-068-973 molport
    The data in this table is sourced from UniChem at EBI.