Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1
InChI Key DKYVVNLWACXMDW-UHFFFAOYSA-N
Molecular Formula C13H19NO2S
Exact Mass 253.360 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DKYVVNLWACXMDW-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/DKYVVNLWACXMDW-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Alexander Maier
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N-cyclohexyl-4-methylbenzenesulfonamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    74248 BindingDB
    GEHZAV CCDC
    J47.565C Nikkaji
    ZINC000000075462 ZINC
    DTXSID1024885 EPA CompTox Dashboard
    CB5733659 ChemicalBook
    CHEMBL1371652 ChEMBL
    80-30-8 ACToR
    6633 PubChem
    14774419 PubChem: Thomson Pharma
    888917 eMolecules
    0QPV1AE9EM FDA SRS
    MCULE-4608424356 Mcule
    SCHEMBL128274 SureChEMBL
    The data in this table is sourced from UniChem at EBI.