Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C21H14S2/c1-3-7-15(8-4-1)21(16-9-5-2-6-10-16)17-11-13-22-19(17)20-18(21)12-14-23-20/h1-14H
SMILES c1ccc(cc1)C1(c2ccccc2)c2ccsc2-c2c1ccs2
InChI Key YGRQOPXODHLOEM-UHFFFAOYSA-N
Molecular Formula C21H14S2
Exact Mass 330.466 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YGRQOPXODHLOEM-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/YGRQOPXODHLOEM-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-12-03
Related Molecule
  • 7,7-diphenyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL14216949 SureChEMBL
    58568176 PubChem
    J3.066.088I Nikkaji
    The data in this table is sourced from UniChem at EBI.