Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C12H6N2S2/c13-7-9(8-14)6-10-3-4-12(16-10)11-2-1-5-15-11/h1-6H
SMILES N#CC(=Cc1ccc(s1)c1cccs1)C#N
InChI Key JULWDNGPIOYHSR-UHFFFAOYSA-N
Exact Mass 242.319 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JULWDNGPIOYHSR-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/JULWDNGPIOYHSR-UHFFFAOYSA-N/CHMO0001150
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
2739819 PubChem
675436 eMolecules
SCHEMBL15105974 SureChEMBL
ZINC000000108101 ZINC
J1.669.024D Nikkaji
LEMRAA CCDC
MCULE-7648983349 Mcule
The data in this table is sourced from UniChem at EBI.