Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C20H14BCl2S2.K/c22-17-7-1-5-15(13-17)21(19-9-3-11-24-19,20-10-4-12-25-20)16-6-2-8-18(23)14-16;/h1-14H;/q-1;+1
SMILES Clc1cccc(c1)[B-](c1cccs1)(c1cccs1)c1cccc(c1)Cl.[K+]
InChI Key OQPKPUBOLLRDPV-UHFFFAOYSA-N
Exact Mass 439.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OQPKPUBOLLRDPV-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/OQPKPUBOLLRDPV-UHFFFAOYSA-N/CHMO0001148
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
  • potassium bis(3-chlorophenyl)-dithiophen-2-ylboranuide
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    date : 2025-11-16

    starting time : 04:17:12 UTC

    creator : Sylvia Vanderheiden-Schroen

    label : ComP-25505

    id : 355824

    Solvent : DMSO

    temperature : 298.000635928348 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.