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/C9H14N2O2S/c1-8-4-6-9(7-5-8)14(12,13)10-11(2)3/h4-7,10H,1-3H3
SMILES CN(NS(=O)(=O)c1ccc(cc1)C)C
InChI Key ZGKOFNKFGIVSDI-UHFFFAOYSA-N
Molecular Formula C9H14N2O2S
Exact Mass 214.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZGKOFNKFGIVSDI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZGKOFNKFGIVSDI-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:09:37.701761
MetadataModified 2024-09-08T00:04:59.844556
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J2.697.959E Nikkaji
ZINC000000368774 ZINC
2012467 eMolecules
85425 Brenda
MCULE-2945384559 Mcule
840007 PubChem
The data in this table is sourced from UniChem at EBI.