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

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RUXSYXRLQWWZKD-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RUXSYXRLQWWZKD-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:08:55.143853
MetadataModified 2024-09-08T00:04:00.438213
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-5770278305 Mcule
779745 PubChem
2350525 eMolecules
ZINC000000272569 ZINC
The data in this table is sourced from UniChem at EBI.