Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H15NO5S/c1-10(2,3)16-9(12)11-7-5-6-8(11)17(13,14)15-4/h5-7H,1-4H3
SMILES COS(=O)(=O)c1cccn1C(=O)OC(C)(C)C
InChI Key OLDZQNOAJZIDNP-UHFFFAOYSA-N
Exact Mass 261.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OLDZQNOAJZIDNP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OLDZQNOAJZIDNP-UHFFFAOYSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-17
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2024-10-08

Starting time : 19:32:44 UTC

Creator : Po-Chung Chien

label : PCC-788

id : 148036

Solvent used for referencing : CDCl3

temperature : 295.9537 K

PULPROG : zg30

number of scans : 16 scans

instrument : spect

Name : Parameter file, TOPSPIN Version 3.0

Version : Parameter file, TOPSPIN Version 3.0

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