Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H14N2O4S/c1-9-4-6-10(7-5-9)20(16,17)11-8-14-13(19-3)15-12(11)18-2/h4-8H,1-3H3
SMILES COc1nc(OC)ncc1S(=O)(=O)c1ccc(cc1)C
InChI Key ZHYKLINAUYAJCN-UHFFFAOYSA-N
Exact Mass 294.326 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZHYKLINAUYAJCN-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZHYKLINAUYAJCN-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
Title : Oct10-2024

Date : 20241011

Start time : 0.34 h

Label : JFC-98

ID : 327579

Solvent : chloroform-D1 (CDCl3)

Temperature : 298.0 K K

Puls programme : zgpg30

Number of scans : 2048

Instrument : Avance NEO

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