Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C22H20BS2.K/c1-17-9-3-5-11-19(17)23(21-13-7-15-24-21,22-14-8-16-25-22)20-12-6-4-10-18(20)2;/h3-16H,1-2H3;/q-1;+1
SMILES Cc1ccccc1[B-](c1ccccc1C)(c1cccs1)c1cccs1.[K+]
InChI Key LPAVHVNFCXQWAG-UHFFFAOYSA-N
Exact Mass 398.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LPAVHVNFCXQWAG-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LPAVHVNFCXQWAG-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
  • potassium bis(2-methylphenyl)-dithiophen-2-ylboranuide
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    date : 2025-11-15

    starting time : 19:19:39 UTC

    creator : Sylvia Vanderheiden-Schroen

    label : ComP-25519

    id : 356079

    Solvent : DMSO

    temperature : 297.988808686308 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO 400

    Name : TopSpin

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