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/C13H14N2O2S/c1-15(12-8-4-2-5-9-12)14-18(16,17)13-10-6-3-7-11-13/h2-11,14H,1H3
SMILES CN(c1ccccc1)NS(=O)(=O)c1ccccc1
InChI Key MVFSSJKMQUDTLZ-UHFFFAOYSA-N
Molecular Formula C13H14N2O2S
Exact Mass 262.327 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MVFSSJKMQUDTLZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MVFSSJKMQUDTLZ-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:09:05.350500
MetadataModified 2024-09-08T00:04:14.548836
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000027985087 ZINC
44381109 PubChem
CHEMBL353013 ChEMBL
J1.501.957C Nikkaji
The data in this table is sourced from UniChem at EBI.