Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C18H14BS3.K/c1-2-7-15(8-3-1)19(16-9-4-12-20-16,17-10-5-13-21-17)18-11-6-14-22-18;/h1-14H;/q-1;+1
SMILES c1ccc(cc1)[B-](c1cccs1)(c1cccs1)c1cccs1.[K+]
InChI Key CXKUZQOZUYGSEG-UHFFFAOYSA-N
Exact Mass 376.408 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CXKUZQOZUYGSEG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CXKUZQOZUYGSEG-UHFFFAOYSA-N/CHMO0000593
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
  • potassium phenyl(trithiophen-2-yl)boranuide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    date : 2025-11-13

    starting time : 13:56:48 UTC

    creator : Sylvia Vanderheiden-Schroen

    label : ComP-25503

    id : 356089

    Solvent : DMSO

    temperature : 297.999019039562 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    177747877 pubchem
    The data in this table is sourced from UniChem at EBI.