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/C11H10O2S/c12-14(13,11-6-7-11)9-8-10-4-2-1-3-5-10/h1-5,11H,6-7H2
SMILES O=S(=O)(C1CC1)C#Cc1ccccc1
InChI Key QWPVWWQSWGJHKP-UHFFFAOYSA-N
Exact Mass 206.261 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QWPVWWQSWGJHKP-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/QWPVWWQSWGJHKP-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
Date : 2025-03-27

Starting time : 12:48:32 UTC

Creator : José Carlos Ferreira da Cunha

label : JFC-328

id : 149950

Solvent used for referencing : CDCl3

temperature : 298.1514 K

PULPROG : hsqcetgp

number of scans : 4 scans

instrument : spect

Name : Parameter file, TOPSPIN Version 3.2

Version : Parameter file, TOPSPIN Version 3.2

Data-Source Molecule ID Data-Source
141745506 pubchem
The data in this table is sourced from UniChem at EBI.