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/C19H18N2O2S/c1-16-12-14-19(15-13-16)24(22,23)20-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,20H,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)NN(c1ccccc1)c1ccccc1
InChI Key KXAFXMXACBYLEC-UHFFFAOYSA-N
Molecular Formula C19H18N2O2S
Exact Mass 338.423 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KXAFXMXACBYLEC-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KXAFXMXACBYLEC-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:09:10.370911
MetadataModified 2024-09-08T00:04:21.733010
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
651068 eMolecules
SCHEMBL2306175 SureChEMBL
MCULE-8401089069 Mcule
711063 PubChem
ZINC000000102367 ZINC
The data in this table is sourced from UniChem at EBI.