Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/QWPVWWQSWGJHKP-UHFFFAOYSA-N/CHMO0000595
Version
Author José Carlos Ferreira da Cunha
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-20
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
141745506 pubchem
The data in this table is sourced from UniChem at EBI.