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/C11H16N2O3S/c1-10-2-4-11(5-3-10)17(14,15)12-13-6-8-16-9-7-13/h2-5,12H,6-9H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)NN1CCOCC1
InChI Key CGJMIHZEFDRIGG-UHFFFAOYSA-N
Molecular Formula C11H16N2O3S
Exact Mass 256.321 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CGJMIHZEFDRIGG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CGJMIHZEFDRIGG-UHFFFAOYSA-N/CHMO0000593
Version
Author João Macara
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:08:57.702785
MetadataModified 2024-09-08T00:04:04.011458
MetadataPublished 2023-01-02
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J2.792.884F Nikkaji
MCULE-7254207370 Mcule
903469 PubChem
DTXSID80358596 EPA CompTox Dashboard
ZINC000000483669 ZINC
3971156 eMolecules
The data in this table is sourced from UniChem at EBI.