Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C5H9NO2S/c6-9(7,8)5-1-4(2-5)3-5/h4H,1-3H2,(H2,6,7,8)
SMILES NS(=O)(=O)C12CC(C1)C2
InChI Key VSGFXWVXQMJJKN-UHFFFAOYSA-N
Molecular Formula C5H9NO2S
Exact Mass 147.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VSGFXWVXQMJJKN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VSGFXWVXQMJJKN-UHFFFAOYSA-N/CHMO0000593
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:09:55.921646
MetadataModified 2024-09-07T16:38:23.073592
MetadataPublished 2020-02-17
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
145926355 PubChem
The data in this table is sourced from UniChem at EBI.