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/C8H12N2O2S/c1-10(2)9-13(11,12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
SMILES CN(NS(=O)(=O)c1ccccc1)C
InChI Key SZZHGCPDOORRHI-UHFFFAOYSA-N
Molecular Formula C8H12N2O2S
Exact Mass 200.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SZZHGCPDOORRHI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SZZHGCPDOORRHI-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:08:47.683635
MetadataModified 2024-09-08T00:03:49.983450
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL7215570 SureChEMBL
54333504 PubChem
ZINC000071773811 ZINC
35872522 eMolecules
J316.691K Nikkaji
The data in this table is sourced from UniChem at EBI.