Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C15H12O2S2/c1-11-6-8-12(9-7-11)19(16,17)15-10-18-14-5-3-2-4-13(14)15/h2-10H,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)c1csc2c1cccc2
InChI Key NQSZKBOEVNGOTN-UHFFFAOYSA-N
Exact Mass 288.385 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NQSZKBOEVNGOTN-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/NQSZKBOEVNGOTN-UHFFFAOYSA-N/CHMO0001146
Version
Author José Carlos Ferreira da Cunha
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
title : Sep19-2024-braese

date : 20240920

starting time : 2.32 h

label : JFC-79

id : 326222

Solvent : chloroform-D1 (CDCl3)

temperature : 298.0 K

PULPROG : hsqcedetgpsisp2.3

number of scans : 4 scans

instrument : spect

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