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/C12H11ClN2O2S/c13-10-5-4-6-11(9-10)14-15-18(16,17)12-7-2-1-3-8-12/h1-9,14-15H
SMILES Clc1cccc(c1)NNS(=O)(=O)c1ccccc1
InChI Key NQGYJZMMGBFFFC-UHFFFAOYSA-N
Molecular Formula C12H11ClN2O2S
Exact Mass 282.746 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NQGYJZMMGBFFFC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/NQGYJZMMGBFFFC-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:09:45.143613
MetadataModified 2024-09-08T00:05:10.278609
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
166451833 PubChem
The data in this table is sourced from UniChem at EBI.