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/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/CHMO0001146.1
License URL
Source https://www.chemotion-repository.net/inchikey/FFZHICFAHSDFKZ-UHFFFAOYSA-N/CHMO0001146.1
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : May17-2023

    date : 20230517

    starting time : 23.32 h

    label : HT-1257

    id : 300872

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    121468 surechembl
    10703628 pubchem
    KUJRUD CCDC
    DTXSID40443735 comptox
    Molport-002-055-009 molport
    The data in this table is sourced from UniChem at EBI.